A0A087XE72_POEFO Loading...

Cytokine receptor common subunit gamma

AlphaFold DB , UniProt , Accession A0A087XE72, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 348 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M50.9Low52.3Low228 Ų228129.1 Ų129.1100%1.12366%0.662SS**  010.50-69.7162.179.500114.2
2S55.4Low52Low85 Ų85127.7 Ų127.759%0.59466%0.655SS**  trans-85.4-38.8-174.1-166.80000114.9R4 V5 F6S2-R4 PolarHBondContact O-N 3.44Å; S2-V5 PolarHBondContact O-N 2.85Å; S2-F6 PolarHBondContact O-N 3.35Å
3T50.1Low51.6Low116 Ų116125.9 Ų125.971%0.71266%0.66SS**Hα-helixtrans-68.2-28.4-171.943.20000115.4L7T3-L7 PolarHBondContact O-N 3.17Å
4R51.6Low51.2Low205 Ų205128.9 Ų128.977%0.77467%0.668SS**Hα-helixtrans-72.7-32.1176.1-74.2-171.1174.2-173.8-2.2112.7S2 L7 F8S2-R4 PolarHBondContact O-N 3.44Å; R4-L7 PolarHBondContact O-N 3.23Å; R4-F8 WeakPolarHBondContact O-CD2 3.47Å; R4-F8 PolarHBondContact O-N 3.36Å
5V54.3Low50.8Low90 Ų90128.6 Ų128.655%0.54567%0.666SS.*Hα-helixtrans-69.6-40.1179.4-178.60000110.7S2 L7 F8 L9S2-V5 PolarHBondContact O-N 2.85Å; V5-L7 PolarHBondContact O-N 3.29Å; V5-F8 PolarHBondContact O-N 3.18Å; V5-L9 HydrophobicContact CG1-CD1 4.17Å; V5-L9 PolarHBondContact O-N 3.37Å
6F50.8Low50.8Low142 Ų142128 Ų12862%0.62367%0.67SS**Hα-helixtrans-62-39.4174.5-107-87000113.4S2 L9 C10S2-F6 PolarHBondContact O-N 3.35Å; F6-L9 PolarHBondContact O-N 3.32Å; F6-C10 PolarHBondContact O-N 3.48Å; F6-C10 PolarHBondContact O-SG 3.26Å
7L51.9Low50.3Low114 Ų114125.8 Ų125.860%0.59767%0.674SS**Hα-helixtrans-65.2-39.4175.8-93158.5000112.7T3 R4 V5 C10 L11T3-L7 PolarHBondContact O-N 3.17Å; R4-L7 PolarHBondContact O-N 3.23Å; V5-L7 PolarHBondContact O-N 3.29Å; L7-C10 PolarHBondContact O-N 3.37Å; L7-L11 WeakPolarHBondContact O-CG 3.36Å; L7-L11 PolarHBondContact O-N 2.99Å
8F51.8Low50.2Low137 Ų137125.1 Ų125.160%0.60167%0.666SS**Hα-helixtrans-67.8-36.1173.2-87.3-75.4000112.6R4 V5 L11 L12R4-F8 WeakPolarHBondContact O-CD2 3.47Å; R4-F8 PolarHBondContact O-N 3.36Å; V5-F8 PolarHBondContact O-N 3.18Å; F8-L11 PolarHBondContact O-N 3.19Å; F8-L12 VanDerWaalsContact O-CB 3.28Å; F8-L12 WeakPolarHBondContact O-CB 3.48Å; F8-L12 WeakPolarHBondContact O-CG 3.29Å; F8-L12 PolarHBondContact O-N 3.5Å
9L53.2Low50.8Low104 Ų104125.6 Ų125.655%0.54566%0.664SS.*Hα-helixtrans-64.9-37.3173-87.9156.9000112.8V5 F6 L12 C13V5-L9 HydrophobicContact CG1-CD1 4.17Å; V5-L9 PolarHBondContact O-N 3.37Å; F6-L9 PolarHBondContact O-N 3.32Å; L9-L12 CarbonylContact O-C 3.6Å; L9-L12 PolarHBondContact O-N 2.93Å; L9-C13 WeakPolarHBondContact O-CB 3.39Å; L9-C13 PolarHBondContact O-N 2.98Å
10C53.6Low51.8Low81 Ų81127.7 Ų127.755%0.54766%0.664SS.*Hα-helixtrans-69.3-39.6173.7-69.60000112.7F6 L7 L12 C13F6-C10 PolarHBondContact O-N 3.48Å; F6-C10 PolarHBondContact O-SG 3.26Å; L7-C10 PolarHBondContact O-N 3.37Å; C10-L12 VanDerWaalsContact C-N 3.31Å; C10-C13 PolarHBondContact O-N 3.26Å; C10-C13 VanDerWaalsContact O-N 3.1Å
11L51.7Low53.3Low118 Ų118122.2 Ų122.262%0.61864%0.636SS**Hα-helixtrans-67.3-32.9174.8-73.5163.8000112.1L7 F8 C13L7-L11 WeakPolarHBondContact O-CG 3.36Å; L7-L11 PolarHBondContact O-N 2.99Å; F8-L11 PolarHBondContact O-N 3.19Å; L11-C13 VanDerWaalsContact C-N 3.29Å
12L48.8Very low55.1Low112 Ų112114.5 Ų114.559%0.58660%0.6SS**THydrogen-bonded Turntrans-8814.7170.4-68.3165.2000113.4F8 L9 C10 I15F8-L12 VanDerWaalsContact O-CB 3.28Å; F8-L12 WeakPolarHBondContact O-CB 3.48Å; F8-L12 WeakPolarHBondContact O-CG 3.29Å; F8-L12 PolarHBondContact O-N 3.5Å; L9-L12 CarbonylContact O-C 3.6Å; L9-L12 PolarHBondContact O-N 2.93Å; C10-L12 VanDerWaalsContact C-N 3.31Å; L12-I15 WeakPolarHBondContact O-CD1 3.44Å; L12-I15 WeakPolarHBondContact O-CG1 3.35Å
13C46.2Very low57Low105 Ų105110.6 Ų110.671%0.70957%0.572SS**THydrogen-bonded Turntrans-104.5-2.8165.8-136.30000111.8L9 C10 L11 I15L9-C13 WeakPolarHBondContact O-CB 3.39Å; L9-C13 PolarHBondContact O-N 2.98Å; C10-C13 PolarHBondContact O-N 3.26Å; C10-C13 VanDerWaalsContact O-N 3.1Å; L11-C13 VanDerWaalsContact C-N 3.29Å; C13-I15 PolarHBondContact O-N 3.36Å
14Q46.2Very low59.2Low167 Ų167108.1 Ų108.178%0.7856%0.557SS**  trans-81.818.6165.1-64.8-78.6-63.800111.7V16Q14-V16 VanDerWaalsContact C-N 3.33Å; Q14-V16 PolarHBondContact O-N 3Å
15I46.2Very low61.4Low125 Ų12598.6 Ų98.664%0.64152%0.522SS*.SBendtrans-67.698.9172.1-51.2171.3000106.9L12 C13 A17L12-I15 WeakPolarHBondContact O-CD1 3.44Å; L12-I15 WeakPolarHBondContact O-CG1 3.35Å; C13-I15 PolarHBondContact O-N 3.36Å; I15-A17 PolarHBondContact O-N 3.3Å
16V50.2Low63.4Low119 Ų11996.1 Ų96.172%0.72151%0.505SS*.  trans23.884160.2-1710000112.1Q14 Q18Q14-V16 VanDerWaalsContact C-N 3.33Å; Q14-V16 PolarHBondContact O-N 3Å; V16-Q18 PolarHBondContact O-N 3.5Å
17A42.8Very low65.7Low90 Ų9089.4 Ų89.474%0.74448%0.476SS*.  trans-55.3104.1153.800000105.4I15 E19I15-A17 PolarHBondContact O-N 3.3Å; A17-E19 PolarHBondContact O-N 2.98Å
18Q47.2Very low67.8Low114 Ų11485.2 Ų85.253%0.53345%0.454SS..  trans-71.284.4176.8176.7144.441.500106.1V16 Y20V16-Q18 PolarHBondContact O-N 3.5Å; Q18-Y20 WeakPolarHBondContact O-CD2 3.26Å; Q18-Y20 WeakPolarHBondContact O-CE2 3.5Å; Q18-Y20 PolarHBondContact O-N 3.3Å; Q18-Y20 VanDerWaalsContact O-N 3.12Å
19E62.7Low69.9Low135 Ų13578.8 Ų78.863%0.63143%0.426SS*.  trans-57.4119.1178.3-99.7-175.2119.600108.4A17 Q40A17-E19 PolarHBondContact O-N 2.98Å; E19-Q40 PolarHBondContact OE1-NE2 3.24Å
20Y69.8Low71.9Confident166 Ų16675.3 Ų75.365%0.65141%0.408SS*.  trans-69.6135.6178.3-62.8-91.4000107.9Q18 D22 Y98Q18-Y20 WeakPolarHBondContact O-CD2 3.26Å; Q18-Y20 WeakPolarHBondContact O-CE2 3.5Å; Q18-Y20 PolarHBondContact O-N 3.3Å; Q18-Y20 VanDerWaalsContact O-N 3.12Å; Y20-D22 PolarHBondContact O-N 3.2Å; Y20-Y98 AromaticContact CD1-CD1 3.7Å; Y20-Y98 HydrophobicContact CD1-CD1 3.7Å; Y20-Y98 AromaticContact CD1-CE1 3.49Å; Y20-Y98 HydrophobicContact CD1-CE1 3.49Å; Y20-Y98 VanDerWaalsContact CD1-CE1 3.49Å; Y20-Y98 HydrophobicContact CE1-CD1 4.43Å; Y20-Y98 AromaticContact CE1-CE1 3.96Å; Y20-Y98 HydrophobicContact CE1-CE1 3.96Å
21P83.2Confident73.9Confident14 Ų1477.3 Ų77.39%0.09141%0.409CS..  trans-65.1105.7-177.627.1-35.2000110V23 Y47 L91 Y98P21-V23 PolarHBondContact O-N 2.89Å; P21-Y47 HydrophobicContact CB-CE2 3.95Å; P21-Y47 HydrophobicContact CG-CE1 4.43Å; P21-Y47 HydrophobicContact CG-CE2 4.01Å; P21-L91 HydrophobicContact CB-CD1 3.86Å; P21-L91 HydrophobicContact CG-CD1 3.84Å; P21-Y98 HydrophobicContact CG-CD2 3.67Å; P21-Y98 HydrophobicContact CG-CE2 4.08Å; P21-Y98 HydrophobicContact CG-CG 3.92Å
22D90.3Very high76.1Confident65 Ų6572.7 Ų72.735%0.34839%0.387SS..  trans-78.5109.5-177.3-168.145.7000111.3Y20 L39 K100Y20-D22 PolarHBondContact O-N 3.2Å; D22-L39 HydrophobicContact CB-CD1 4.46Å; D22-K100 VanDerWaalsContact CG-NZ 3.27Å; D22-K100 IonicContact OD1-NZ 3.35Å; D22-K100 PolarHBondContact OD1-NZ 2.84Å; D22-K100 IonicContact OD2-NZ 3.22Å; D22-K100 PolarHBondContact OD2-NZ 3.3Å; D22-K100 VanDerWaalsContact OD2-NZ 3.15Å
23V95.4Very high78.4Confident3 Ų367.4 Ų67.42%0.01836%0.359CS..  trans-75.7133.1175-174.80000109.1P21 C35 M36 W37 F49 T89 L91 K100 H102P21-V23 PolarHBondContact O-N 2.89Å; V23-C35 HydrophobicContact CG1-CB 4.04Å; V23-M36 CarbonylContact C-O 3.59Å; V23-M36 WeakPolarHBondContact CA-O 3.39Å; V23-W37 HydrophobicContact CG2-CB 4.28Å; V23-F49 HydrophobicContact CG1-CE2 4.33Å; V23-T89 HydrophobicContact CG1-CG2 4.3Å; V23-L91 HydrophobicContact CG2-CD1 3.64Å; V23-L91 HydrophobicContact CG2-CG 3.86Å; V23-K100 WeakPolarHBondContact O-CD 3.08Å; V23-K100 WeakPolarHBondContact O-CE 3.19Å; V23-K100 PolarHBondContact O-NZ 3.49Å; V23-H102 PolarHBondContact O-CE1 2.77Å; V23-H102 VanDerWaalsContact O-CE1 3.29Å
24T95.9Very high80.8Confident65 Ų6567.1 Ų67.140%0.39934%0.343SS..EExtended strand (participates in β ladder)trans-125125.3168.8-69.20000109.5C35 M36T24-C35 CarbonylContact O-C 3.46Å; T24-C35 VanDerWaalsContact O-CA 3.31Å; T24-C35 WeakPolarHBondContact O-CA 3.42Å; T24-M36 PolarHBondContact N-O 3.49Å; T24-M36 PolarHBondContact O-N 3.03Å
25C96.8Very high83.3Confident5 Ų559.1 Ų59.13%0.03431%0.306CS..EExtended strand (participates in β ladder)trans-109.8141.5179.2-62.20000112.3I33 R34 C35 T89 L104C25-I33 HydrophobicContact CB-CG2 4.29Å; C25-R34 CarbonylContact C-O 3.46Å; C25-R34 WeakPolarHBondContact CA-O 3.34Å; C25-C35 HydrophobicContact CB-CB 4.18Å; C25-C35 WeakPolarHBondContact CB-SG 3.37Å; C25-C35 WeakPolarHBondContact SG-CB 3.42Å; C25-C35 CovalentContact SG-SG 2.05Å; C25-C35 PolarHBondContact SG-SG 3.44Å; C25-T89 VanDerWaalsContact SG-CG2 3.59Å; C25-L104 HydrophobicContact CB-CD2 3.84Å
26L97.1Very high85.7Confident38 Ų3856.7 Ų56.720%0.19929%0.292CS..EExtended strand (participates in β ladder)trans-140.7129-179.3-17569.5000109.6I28 R34 K107 K109 F192L26-I28 HydrophobicContact CB-CD1 4.3Å; L26-I28 HydrophobicContact CD2-CD1 3.7Å; L26-I28 HydrophobicContact CG-CD1 3.88Å; L26-I28 PolarHBondContact O-N 3.46Å; L26-R34 PolarHBondContact N-O 3.04Å; L26-R34 PolarHBondContact O-N 3.37Å; L26-K107 HydrophobicContact CD1-CB 4.29Å; L26-K107 WeakPolarHBondContact CD1-O 3.39Å; L26-K109 HydrophobicContact CD1-CB 4.31Å; L26-K109 HydrophobicContact CD2-CB 3.91Å; L26-K109 HydrophobicContact CG-CB 4.26Å; L26-F192 HydrophobicContact CD1-CD2 3.53Å; L26-F192 HydrophobicContact CD1-CE2 3.5Å; L26-F192 VanDerWaalsContact CD1-CE2 3.5Å; L26-F192 HydrophobicContact CD1-CG 4.22Å; L26-F192 HydrophobicContact CD1-CZ 4.17Å
27V97.7Very high87.8Confident0 Ų051.2 Ų51.20%026%0.259CS..EExtended strand (participates in β ladder)trans-77.2120.3171.9-172.90000108.6L30 S32 I33 Y78 L104 K107 V108 K109V27-L30 HydrophobicContact CG1-CD2 4.04Å; V27-S32 CarbonylContact C-O 3.58Å; V27-I33 HydrophobicContact CG2-CG1 4.35Å; V27-Y78 HydrophobicContact CG1-CD2 3.47Å; V27-Y78 VanDerWaalsContact CG1-CD2 3.47Å; V27-Y78 HydrophobicContact CG1-CE2 3.57Å; V27-Y78 HydrophobicContact CG1-CG 4.13Å; V27-Y78 HydrophobicContact CG2-CD2 4.3Å; V27-Y78 HydrophobicContact CG2-CE2 4.14Å; V27-L104 HydrophobicContact CG2-CB 4.22Å; V27-L104 HydrophobicContact CG2-CD1 4.41Å; V27-K107 WeakPolarHBondContact CB-O 3.15Å; V27-K107 PolarHBondContact N-O 3.38Å; V27-V108 HydrophobicContact CB-CB 4.36Å; V27-V108 HydrophobicContact CB-CG1 4.22Å; V27-V108 HydrophobicContact CB-CG2 4.04Å; V27-V108 HydrophobicContact CG1-CG1 4.29Å; V27-V108 HydrophobicContact CG2-CG2 4.34Å; V27-V108 CarbonylContact O-C 3.55Å; V27-V108 WeakPolarHBondContact O-CA 3.4Å; V27-K109 PolarHBondContact O-N 2.91Å
28I97.2Very high90.2Very high26 Ų2648.5 Ų48.513%0.13323%0.232CC..EExtended strand (participates in β ladder)trans-98.8117.4-179.6-49.8-58.5000108.8L26 L30 E31 S32 R34L26-I28 HydrophobicContact CB-CD1 4.3Å; L26-I28 HydrophobicContact CD2-CD1 3.7Å; L26-I28 HydrophobicContact CG-CD1 3.88Å; L26-I28 PolarHBondContact O-N 3.46Å; I28-L30 PolarHBondContact O-N 3.46Å; I28-E31 PolarHBondContact O-N 3.35Å; I28-S32 PolarHBondContact N-O 2.99Å; I28-S32 PolarHBondContact O-N 3.36Å; I28-R34 HydrophobicContact CD1-CB 4.35Å; I28-R34 HydrophobicContact CG1-CB 3.85Å
29N96.1Very high92.1Very high3 Ų348.5 Ų48.52%0.01623%0.234CC..THydrogen-bonded Turntrans50.118.5177.3-154.350000116.8E31 K109 N111 T133 V134N29-E31 HydrophobicContact CB-CG 4.36Å; N29-E31 PolarHBondContact ND2-OE1 2.95Å; N29-E31 PolarHBondContact O-N 3.24Å; N29-K109 PolarHBondContact N-O 2.83Å; N29-N111 HydrophobicContact CB-CB 4.26Å; N29-N111 WeakPolarHBondContact CB-ND2 3.4Å; N29-N111 VanDerWaalsContact CG-ND2 3.26Å; N29-N111 PolarHBondContact ND2-ND2 2.93Å; N29-N111 WeakPolarHBondContact OD1-CB 2.88Å; N29-N111 PolarHBondContact OD1-N 2.95Å; N29-T133 PolarHBondContact OD1-OG1 3.31Å; N29-V134 VanDerWaalsContact O-CG2 3.28Å; N29-V134 WeakPolarHBondContact O-CG2 3.45Å
30L95.3Very high93.2Very high31 Ų3146.9 Ų46.916%0.16223%0.227CC..THydrogen-bonded Turntrans58.627.4-169.5-55.5170.7000113.5V27 I28 Y78 V108 L110 V134 L136 L183V27-L30 HydrophobicContact CG1-CD2 4.04Å; I28-L30 PolarHBondContact O-N 3.46Å; L30-Y78 HydrophobicContact CB-CD1 4.3Å; L30-Y78 HydrophobicContact CB-CE1 4.01Å; L30-Y78 HydrophobicContact CD2-CE1 4Å; L30-Y78 HydrophobicContact CD2-CE2 4.34Å; L30-Y78 WeakPolarHBondContact O-CD1 3.48Å; L30-V108 HydrophobicContact CD2-CG1 3.74Å; L30-V108 HydrophobicContact CD2-CG2 4.25Å; L30-V108 HydrophobicContact CG-CG1 4.04Å; L30-L110 HydrophobicContact CD1-CD2 4.47Å; L30-L110 HydrophobicContact CG-CD2 4.4Å; L30-V134 HydrophobicContact CD1-CG1 4.13Å; L30-L136 HydrophobicContact CD1-CD1 3.48Å; L30-L136 VanDerWaalsContact CD1-CD1 3.48Å; L30-L183 HydrophobicContact CD1-CD1 4.14Å; L30-L183 HydrophobicContact CD1-CD2 4.35Å; L30-L183 HydrophobicContact CD2-CD1 4.23Å
31E95.9Very high94Very high123 Ų12340.7 Ų40.758%0.57521%0.214SC*.THydrogen-bonded Turntrans-113.7-35.4178.5-70.3165.9-166.500112.2I28 N29 Y78I28-E31 PolarHBondContact O-N 3.35Å; N29-E31 HydrophobicContact CB-CG 4.36Å; N29-E31 PolarHBondContact ND2-OE1 2.95Å; N29-E31 PolarHBondContact O-N 3.24Å; E31-Y78 VanDerWaalsContact C-CB 3.45Å; E31-Y78 WeakPolarHBondContact O-CB 3.34Å; E31-Y78 PolarHBondContact O-N 3Å
32S96.5Very high94.2Very high21 Ų2141.7 Ų41.715%0.14722%0.219CC..EExtended strand (participates in β ladder)trans-146.9155.6-178.556.30000112.1V27 I28 L76V27-S32 CarbonylContact C-O 3.58Å; I28-S32 PolarHBondContact N-O 2.99Å; I28-S32 PolarHBondContact O-N 3.36Å; S32-L76 CarbonylContact C-O 3.5Å; S32-L76 VanDerWaalsContact CA-O 3.23Å; S32-L76 WeakPolarHBondContact CA-O 3.49Å; S32-L76 VanDerWaalsContact CB-O 3.22Å; S32-L76 WeakPolarHBondContact CB-O 3.31Å
33I96.9Very high94.2Very high0 Ų039.3 Ų39.30%021%0.208CC..EExtended strand (participates in β ladder)trans-100.5126.5166.6-57.3173.5000107.3C25 V27 T75 L76 Y78 Q82 F87 L104C25-I33 HydrophobicContact CB-CG2 4.29Å; V27-I33 HydrophobicContact CG2-CG1 4.35Å; I33-T75 WeakPolarHBondContact O-CA 3.08Å; I33-L76 HydrophobicContact CB-CB 4.32Å; I33-L76 PolarHBondContact N-O 3.15Å; I33-L76 PolarHBondContact O-N 2.7Å; I33-Y78 HydrophobicContact CD1-CD2 4.37Å; I33-Y78 HydrophobicContact CG1-CD2 4.03Å; I33-Q82 HydrophobicContact CD1-CB 4.31Å; I33-F87 HydrophobicContact CD1-CE2 4.09Å; I33-F87 HydrophobicContact CD1-CZ 4.32Å; I33-F87 HydrophobicContact CG2-CE1 4.45Å; I33-F87 HydrophobicContact CG2-CZ 4.44Å; I33-L104 HydrophobicContact CD1-CD1 3.7Å; I33-L104 HydrophobicContact CG1-CD1 4.42Å; I33-L104 HydrophobicContact CG2-CD1 4.43Å
34R97.6Very high93.9Very high99 Ų9946.2 Ų46.237%0.37424%0.24SC..EExtended strand (participates in β ladder)trans-110.4117173.5-174.6173.5-62.81657.4109.4C25 L26 I28 M36 L65 C74C25-R34 CarbonylContact C-O 3.46Å; C25-R34 WeakPolarHBondContact CA-O 3.34Å; L26-R34 PolarHBondContact N-O 3.04Å; L26-R34 PolarHBondContact O-N 3.37Å; I28-R34 HydrophobicContact CD1-CB 4.35Å; I28-R34 HydrophobicContact CG1-CB 3.85Å; R34-M36 HydrophobicContact CG-CG 4.19Å; R34-L65 HydrophobicContact CG-CD1 3.87Å; R34-C74 WeakPolarHBondContact CA-O 3.38Å
35C97.5Very high93.6Very high0 Ų045.3 Ų45.30%023%0.234CC..EExtended strand (participates in β ladder)trans-107136.6172.6-61.20000109.4V23 T24 C25 F49 G73 C74V23-C35 HydrophobicContact CG1-CB 4.04Å; T24-C35 CarbonylContact O-C 3.46Å; T24-C35 VanDerWaalsContact O-CA 3.31Å; T24-C35 WeakPolarHBondContact O-CA 3.42Å; C25-C35 HydrophobicContact CB-CB 4.18Å; C25-C35 WeakPolarHBondContact CB-SG 3.37Å; C25-C35 WeakPolarHBondContact SG-CB 3.42Å; C25-C35 CovalentContact SG-SG 2.05Å; C25-C35 PolarHBondContact SG-SG 3.44Å; C35-F49 HydrophobicContact CB-CE2 3.82Å; C35-F49 HydrophobicContact CB-CZ 3.97Å; C35-G73 CarbonylContact O-C 3.6Å; C35-G73 WeakPolarHBondContact O-CA 3.19Å; C35-C74 PolarHBondContact N-O 2.95Å; C35-C74 PolarHBondContact O-N 2.78Å
36M96.8Very high93.4Very high73 Ų7349.1 Ų49.136%0.3625%0.254SS..EExtended strand (participates in β ladder)trans-132.5151.8177.6-49.2-161.7-40.300110.6V23 T24 R34 I72V23-M36 CarbonylContact C-O 3.59Å; V23-M36 WeakPolarHBondContact CA-O 3.39Å; T24-M36 PolarHBondContact N-O 3.49Å; T24-M36 PolarHBondContact O-N 3.03Å; R34-M36 HydrophobicContact CG-CG 4.19Å; M36-I72 WeakPolarHBondContact CA-O 3.47Å
37W95.3Very high93.3Very high5 Ų548.4 Ų48.42%0.01925%0.249CC..  trans-138.531.1-179.153.882000111.9V23 Y47 F49 Y64 N71 I72 G73 C74 L91V23-W37 HydrophobicContact CG2-CB 4.28Å; W37-Y47 AromaticContact NE1-CD2 3.96Å; W37-F49 HydrophobicContact CE3-CD2 4.06Å; W37-F49 HydrophobicContact CH2-CB 3.71Å; W37-F49 AromaticContact CH2-CD2 3.98Å; W37-F49 HydrophobicContact CH2-CD2 3.98Å; W37-F49 HydrophobicContact CH2-CG 4.1Å; W37-F49 HydrophobicContact CZ3-CB 4Å; W37-F49 AromaticContact CZ3-CD2 3.34Å; W37-F49 HydrophobicContact CZ3-CD2 3.34Å; W37-F49 HydrophobicContact CZ3-CE2 4.05Å; W37-F49 AromaticContact CZ3-CG 3.9Å; W37-F49 HydrophobicContact CZ3-CG 3.9Å; W37-Y64 HydrophobicContact CH2-CD1 4.19Å; W37-Y64 HydrophobicContact CH2-CE1 4.17Å; W37-Y64 HydrophobicContact CZ2-CD1 4.38Å; W37-Y64 HydrophobicContact CZ2-CE1 4.42Å; W37-N71 HydrophobicContact CZ2-CB 4.05Å; W37-N71 PolarHBondContact NE1-O 3.34Å; W37-I72 VanDerWaalsContact CE2-C 3.48Å; W37-I72 PolarHBondContact N-O 3.44Å; W37-G73 VanDerWaalsContact CH2-CA 3.43Å; W37-G73 WeakPolarHBondContact CH2-O 3.39Å; W37-G73 VanDerWaalsContact CZ3-C 3.46Å; W37-G73 VanDerWaalsContact CZ3-CA 3.4Å; W37-C74 HydrophobicContact CH2-CB 4.2Å; W37-C74 HydrophobicContact CZ3-CB 4.12Å; W37-L91 HydrophobicContact CB-CD1 3.93Å; W37-L91 HydrophobicContact CD2-CD1 4.09Å; W37-L91 HydrophobicContact CD2-CD2 3.84Å; W37-L91 HydrophobicContact CE3-CD2 3.81Å; W37-L91 HydrophobicContact CG-CD1 3.82Å; W37-L91 HydrophobicContact CG-CD2 4.45Å; W37-L91 HydrophobicContact CH2-CD2 4.13Å; W37-L91 HydrophobicContact CZ2-CD2 4.17Å; W37-L91 HydrophobicContact CZ3-CD2 3.97Å
38N93.1Very high93.2Very high33 Ų3351 Ų5118%0.17627%0.265CS..  trans-109.525.1179.269.9-33000113.6Q40 G41 I72N38-Q40 PolarHBondContact O-N 3.47Å; N38-G41 CarbonylContact C-O 3.54Å; N38-G41 VanDerWaalsContact CA-O 3.25Å; N38-G41 WeakPolarHBondContact CA-O 3.38Å; N38-G41 WeakPolarHBondContact CB-O 3.27Å; N38-G41 WeakPolarHBondContact O-CA 3.45Å; N38-G41 PolarHBondContact O-N 2.93Å; N38-I72 HydrophobicContact CB-CB 3.84Å; N38-I72 HydrophobicContact CB-CG2 3.81Å
39L87.6Confident93.2Very high113 Ų11349.8 Ų49.859%0.59226%0.259SS*.THydrogen-bonded Turntrans-60.6-32.8179.1-70174.3000112.8D22 G41D22-L39 HydrophobicContact CB-CD1 4.46Å; L39-G41 VanDerWaalsContact C-N 3.31Å
40Q85.7Confident93.2Very high102 Ų10251.5 Ų51.548%0.47727%0.265SS..THydrogen-bonded Turntrans-90.611.8173.5-66.9139.8-8.800112.8E19 N38E19-Q40 PolarHBondContact OE1-NE2 3.24Å; N38-Q40 PolarHBondContact O-N 3.47Å
41G86Confident93.3Very high36 Ų3650.2 Ų50.237%0.37126%0.259SS..SBendtrans96.5-171.9-171.300000113.4N38 L39N38-G41 CarbonylContact C-O 3.54Å; N38-G41 VanDerWaalsContact CA-O 3.25Å; N38-G41 WeakPolarHBondContact CA-O 3.38Å; N38-G41 WeakPolarHBondContact CB-O 3.27Å; N38-G41 WeakPolarHBondContact O-CA 3.45Å; N38-G41 PolarHBondContact O-N 2.93Å; L39-G41 VanDerWaalsContact C-N 3.31Å
42T88.6Confident93.3Very high34 Ų3448.7 Ų48.721%0.20925%0.248CC..SBendtrans-61.3125.4-179.2-38.50000110.5E67 N68 R70 I72T42-E67 PolarHBondContact OG1-OE2 3.32Å; T42-N68 HydrophobicContact CG2-CB 4.44Å; T42-N68 PolarHBondContact OG1-ND2 3.48Å; T42-R70 HydrophobicContact CG2-CB 3.87Å; T42-R70 HydrophobicContact CG2-CG 4.43Å; T42-I72 HydrophobicContact CG2-CG2 4.11Å
43P89.9Confident93.1Very high16 Ų1648.3 Ų48.310%0.10425%0.245CC..  trans-63.3160.2-176.327.3-35.2000111.4Y47 R70 N71P43-Y47 HydrophobicContact CB-CD2 4.33Å; P43-Y47 HydrophobicContact CB-CE2 3.93Å; P43-R70 WeakPolarHBondContact O-CD 3.4Å; P43-R70 VanDerWaalsContact O-CZ 3.31Å; P43-R70 PolarHBondContact O-NE 2.77Å; P43-R70 PolarHBondContact O-NH1 3.46Å; P43-N71 VanDerWaalsContact CG-O 3.27Å; P43-N71 WeakPolarHBondContact CG-O 3.42Å
44Q87.4Confident92.7Very high147 Ų14758.5 Ų58.569%0.68728%0.283SS*.SBendtrans-80.7-19.3-179-64.4-59.1-12.900114.8R70Q44-R70 VanDerWaalsContact O-CZ 3.3Å; Q44-R70 PolarHBondContact O-NH2 2.89Å; Q44-R70 VanDerWaalsContact O-NH2 3.08Å; Q44-R70 VanDerWaalsContact OE1-NH2 3.12Å
45V90.1Very high91.9Very high46 Ų4660.1 Ų60.128%0.27930%0.295SS..SBendtrans-128.5161.8-177.6-62.50000110.6Y47 D93V45-Y47 HydrophobicContact CG2-CD1 3.95Å; V45-Y47 HydrophobicContact CG2-CD2 4.26Å; V45-Y47 HydrophobicContact CG2-CE1 3.4Å; V45-Y47 VanDerWaalsContact CG2-CE1 3.4Å; V45-Y47 HydrophobicContact CG2-CE2 3.79Å; V45-Y47 HydrophobicContact CG2-CG 4.33Å; V45-Y47 PolarHBondContact O-N 3.38Å; V45-D93 HydrophobicContact CG2-CB 4.23Å
46N93.4Very high91.3Very high85 Ų8562.1 Ų62.146%0.45530%0.304SS..  trans-91.893.9173.9-86-20.7000110.4R70 N71N46-R70 WeakPolarHBondContact OD1-CA 3.34Å; N46-R70 WeakPolarHBondContact OD1-CB 3.37Å; N46-N71 PolarHBondContact OD1-N 3.28Å
47Y94.2Very high90.9Very high23 Ų2361.3 Ų61.39%0.0932%0.315CS..PPolyproline II helixtrans-65.4143173.7-62.8-65.5000112P21 W37 P43 V45 N71 L91 R92 D93 Y98P21-Y47 HydrophobicContact CB-CE2 3.95Å; P21-Y47 HydrophobicContact CG-CE1 4.43Å; P21-Y47 HydrophobicContact CG-CE2 4.01Å; W37-Y47 AromaticContact NE1-CD2 3.96Å; P43-Y47 HydrophobicContact CB-CD2 4.33Å; P43-Y47 HydrophobicContact CB-CE2 3.93Å; V45-Y47 HydrophobicContact CG2-CD1 3.95Å; V45-Y47 HydrophobicContact CG2-CD2 4.26Å; V45-Y47 HydrophobicContact CG2-CE1 3.4Å; V45-Y47 VanDerWaalsContact CG2-CE1 3.4Å; V45-Y47 HydrophobicContact CG2-CE2 3.79Å; V45-Y47 HydrophobicContact CG2-CG 4.33Å; V45-Y47 PolarHBondContact O-N 3.38Å; Y47-N71 PolarHBondContact O-ND2 3.14Å; Y47-L91 HydrophobicContact CD1-CB 4.05Å; Y47-L91 HydrophobicContact CD2-CD1 4.07Å; Y47-L91 HydrophobicContact CG-CB 4.04Å; Y47-L91 HydrophobicContact CG-CD1 4.19Å; Y47-L91 HydrophobicContact CG-CD2 4.39Å; Y47-L91 HydrophobicContact CG-CG 4.45Å; Y47-R92 WeakPolarHBondContact CA-O 3.43Å; Y47-D93 HydrophobicContact CD1-CB 3.68Å; Y47-D93 HydrophobicContact CE1-CB 3.62Å; Y47-Y98 HydrophobicContact CE1-CD2 4.07Å; Y47-Y98 AromaticContact CE1-CE2 3.76Å; Y47-Y98 HydrophobicContact CE1-CE2 3.76Å
48T95.6Very high90.8Very high56 Ų5666.1 Ų66.134%0.34434%0.338SS..EExtended strand (participates in β ladder)trans-91.4122.6162.9-53.20000108.3Y50 R92T48-Y50 HydrophobicContact CG2-CD2 4.26Å; T48-Y50 HydrophobicContact CG2-CE2 3.46Å; T48-Y50 VanDerWaalsContact CG2-CE2 3.46Å; T48-R92 PolarHBondContact N-O 3.13Å; T48-R92 PolarHBondContact O-N 2.88Å
49F97.6Very high90.8Very high0 Ų066.6 Ų66.60%034%0.342CS..EExtended strand (participates in β ladder)trans-96.2133.7-178.1175-79.3000111.4V23 C35 W37 C61 Y64 C74 L76 T89 E90 L91V23-F49 HydrophobicContact CG1-CE2 4.33Å; C35-F49 HydrophobicContact CB-CE2 3.82Å; C35-F49 HydrophobicContact CB-CZ 3.97Å; W37-F49 HydrophobicContact CE3-CD2 4.06Å; W37-F49 HydrophobicContact CH2-CB 3.71Å; W37-F49 AromaticContact CH2-CD2 3.98Å; W37-F49 HydrophobicContact CH2-CD2 3.98Å; W37-F49 HydrophobicContact CH2-CG 4.1Å; W37-F49 HydrophobicContact CZ3-CB 4Å; W37-F49 AromaticContact CZ3-CD2 3.34Å; W37-F49 HydrophobicContact CZ3-CD2 3.34Å; W37-F49 HydrophobicContact CZ3-CE2 4.05Å; W37-F49 AromaticContact CZ3-CG 3.9Å; W37-F49 HydrophobicContact CZ3-CG 3.9Å; F49-C61 HydrophobicContact CB-CB 4.04Å; F49-C61 HydrophobicContact CD1-CB 3.85Å; F49-C61 HydrophobicContact CG-CB 4.36Å; F49-C61 PolarHBondContact O-N 3.32Å; F49-Y64 HydrophobicContact CB-CE1 4.01Å; F49-Y64 PolarHBondContact N-OH 3.49Å; F49-C74 HydrophobicContact CD1-CB 3.81Å; F49-C74 HydrophobicContact CD2-CB 4.39Å; F49-C74 HydrophobicContact CE1-CB 4.07Å; F49-C74 HydrophobicContact CG-CB 3.98Å; F49-C74 HydrophobicContact CZ-CB 4.44Å; F49-L76 HydrophobicContact CE1-CD1 3.98Å; F49-L76 HydrophobicContact CE1-CD2 4.34Å; F49-L76 HydrophobicContact CE1-CG 4.46Å; F49-L76 HydrophobicContact CZ-CD1 4.33Å; F49-T89 HydrophobicContact CE2-CG2 3.73Å; F49-T89 HydrophobicContact CZ-CG2 3.6Å; F49-E90 WeakPolarHBondContact CA-O 3.34Å; F49-L91 HydrophobicContact CB-CD2 4.01Å; F49-L91 HydrophobicContact CD2-CD2 3.79Å; F49-L91 HydrophobicContact CG-CD2 4.39Å
50Y96.9Very high91.2Very high39 Ų3965.9 Ų65.915%0.15334%0.338CS..EExtended strand (participates in β ladder)trans-123.5149172-61.6-104.3000109.9T48 E58 T59 I60 T89 E90 R92T48-Y50 HydrophobicContact CG2-CD2 4.26Å; T48-Y50 HydrophobicContact CG2-CE2 3.46Å; T48-Y50 VanDerWaalsContact CG2-CE2 3.46Å; Y50-E58 VanDerWaalsContact CD1-CD 3.43Å; Y50-E58 HydrophobicContact CD1-CG 3.66Å; Y50-E58 VanDerWaalsContact CD1-OE2 3.3Å; Y50-E58 WeakPolarHBondContact CD1-OE2 3.42Å; Y50-E58 WeakPolarHBondContact CE1-OE2 3.33Å; Y50-E58 HydrophobicContact CG-CG 4.38Å; Y50-T59 CarbonylContact C-O 3.57Å; Y50-T59 WeakPolarHBondContact CA-O 3.32Å; Y50-I60 HydrophobicContact CD1-CG1 3.63Å; Y50-I60 HydrophobicContact CE1-CD1 3.86Å; Y50-I60 HydrophobicContact CE1-CG1 3.33Å; Y50-T89 WeakPolarHBondContact O-CA 3.33Å; Y50-E90 PolarHBondContact N-O 2.86Å; Y50-E90 PolarHBondContact O-N 3.07Å; Y50-R92 HydrophobicContact CD2-CG 4.02Å; Y50-R92 HydrophobicContact CE2-CB 4.2Å; Y50-R92 VanDerWaalsContact CE2-CD 3.47Å; Y50-R92 HydrophobicContact CE2-CG 3.84Å
51S96.4Very high91.7Very high3 Ų361.4 Ų61.42%0.02132%0.317CS..EExtended strand (participates in β ladder)trans-134.2144.5170.254.90000111.1T59 L76 Y88S51-T59 PolarHBondContact N-O 3.49Å; S51-T59 PolarHBondContact O-N 2.86Å; S51-L76 WeakPolarHBondContact OG-CD1 3.35Å; S51-Y88 CarbonylContact C-O 3.56Å; S51-Y88 VanDerWaalsContact CA-O 3.29Å; S51-Y88 WeakPolarHBondContact CA-O 3.47Å
52R95.4Very high92.1Very high91 Ų9164.5 Ų64.534%0.34334%0.34SS..EExtended strand (participates in β ladder)trans-140.3150.3172.664.8-176.3-174.878.11.4109.8Y88 E99R52-Y88 HydrophobicContact CG-CD2 4.34Å; R52-Y88 HydrophobicContact CG-CG 4.33Å; R52-Y88 VanDerWaalsContact CZ-CG 3.45Å; R52-Y88 PolarHBondContact N-O 3.29Å; R52-Y88 VanDerWaalsContact NH1-CD2 3.26Å; R52-Y88 VanDerWaalsContact NH2-CD1 3.28Å; R52-Y88 PolarHBondContact O-N 3.05Å; R52-E99 IonicContact CZ-OE1 2.76Å; R52-E99 IonicContact NE-OE1 3.36Å; R52-E99 PolarHBondContact NE-OE1 3.49Å; R52-E99 IonicContact NH2-OE1 3.34Å; R52-E99 PolarHBondContact NH2-OE1 3.18Å
53S93.4Very high92.5Very high14 Ų1469.4 Ų69.410%0.09836%0.358CS..  trans-136.4-174.7172.286.60000109.2Q56 E85S53-Q56 PolarHBondContact N-O 2.93Å; S53-Q56 PolarHBondContact OG-N 3.3Å; S53-E85 WeakPolarHBondContact CB-OE1 3.3Å; S53-E85 PolarHBondContact OG-OE1 2.89Å
54R87.5Confident92.8Very high213 Ų21371.7 Ų71.780%0.80437%0.365SS*.SBendtrans-70.9-36.1-179.7-177.2-176.6177.8-178.20.4111.9E85R54-E85 WeakPolarHBondContact CB-OE2 3.16Å; R54-E85 PolarHBondContact N-OE1 3.28Å
55H82.1Confident93.2Very high134 Ų13466.8 Ų66.862%0.6234%0.343SS*.SBendtrans-97.1-8.8-179.8-63.387.9000113.8E85H55-E85 IonicContact CE1-OE2 3.52Å; H55-E85 PolarHBondContact CE1-OE2 3.41Å; H55-E85 IonicContact CG-OE2 2.66Å; H55-E85 PolarHBondContact N-OE1 2.98Å; H55-E85 IonicContact ND1-OE1 3.71Å; H55-E85 IonicContact ND1-OE2 3.04Å; H55-E85 PolarHBondContact ND1-OE2 2.98Å
56Q84.7Confident93.5Very high41 Ų4169 Ų6919%0.19236%0.357CS..SBendtrans-125.6121.3177.5-173.1176.4-0.900111.4S53 T59S53-Q56 PolarHBondContact N-O 2.93Å; S53-Q56 PolarHBondContact OG-N 3.3Å; Q56-T59 PolarHBondContact NE2-OG1 3.4Å
57G88.2Confident93.5Very high56 Ų5668.5 Ų68.558%0.57735%0.352SS*.  trans-62.5174.4173.200000113.5T59G57-T59 PolarHBondContact O-N 2.92Å; G57-T59 VanDerWaalsContact O-N 3.15Å; G57-T59 PolarHBondContact O-OG1 3.29Å
58E93.4Very high93.4Very high107 Ų10774 Ų7450%0.538%0.383SS..  trans-53.4122.6-179.4-170.8-176.8-96.200111.3Y50 R92Y50-E58 VanDerWaalsContact CD1-CD 3.43Å; Y50-E58 HydrophobicContact CD1-CG 3.66Å; Y50-E58 VanDerWaalsContact CD1-OE2 3.3Å; Y50-E58 WeakPolarHBondContact CD1-OE2 3.42Å; Y50-E58 WeakPolarHBondContact CE1-OE2 3.33Å; Y50-E58 HydrophobicContact CG-CG 4.38Å; E58-R92 IonicContact OE1-CZ 2.67Å; E58-R92 IonicContact OE1-NH1 2.74Å; E58-R92 PolarHBondContact OE1-NH1 2.94Å; E58-R92 IonicContact OE1-NH2 3.59Å; E58-R92 PolarHBondContact OE1-NH2 2.98Å; E58-R92 IonicContact OE2-NH1 2.67Å; E58-R92 PolarHBondContact OE2-NH1 3.48Å
59T93.5Very high93.1Very high43 Ų4374.5 Ų74.526%0.26440%0.399SS..EExtended strand (participates in β ladder)trans-125.9125.7-176.5-59.80000109.4Y50 S51 Q56 G57Y50-T59 CarbonylContact C-O 3.57Å; Y50-T59 WeakPolarHBondContact CA-O 3.32Å; S51-T59 PolarHBondContact N-O 3.49Å; S51-T59 PolarHBondContact O-N 2.86Å; Q56-T59 PolarHBondContact NE2-OG1 3.4Å; G57-T59 PolarHBondContact O-N 2.92Å; G57-T59 VanDerWaalsContact O-N 3.15Å; G57-T59 PolarHBondContact O-OG1 3.29Å
60I95.6Very high92.9Very high98 Ų9878.2 Ų78.250%0.50341%0.413SS..EExtended strand (participates in β ladder)trans-77.4144.6175.2-64.6168.8000109.8Y50 A62Y50-I60 HydrophobicContact CD1-CG1 3.63Å; Y50-I60 HydrophobicContact CE1-CD1 3.86Å; Y50-I60 HydrophobicContact CE1-CG1 3.33Å; I60-A62 PolarHBondContact O-N 3.08Å
61C96.4Very high92.8Very high7 Ų777.8 Ų77.85%0.04741%0.413CS..  trans-59.7118.5173-1700000112.7F49 K63 Y64 C74F49-C61 HydrophobicContact CB-CB 4.04Å; F49-C61 HydrophobicContact CD1-CB 3.85Å; F49-C61 HydrophobicContact CG-CB 4.36Å; F49-C61 PolarHBondContact O-N 3.32Å; C61-K63 VanDerWaalsContact SG-C 3.52Å; C61-Y64 HydrophobicContact CB-CD1 4.34Å; C61-Y64 HydrophobicContact CB-CD2 4.3Å; C61-Y64 HydrophobicContact CB-CE1 3.83Å; C61-Y64 HydrophobicContact CB-CE2 3.77Å; C61-Y64 WeakPolarHBondContact O-CE2 3.34Å; C61-C74 VanDerWaalsContact CA-SG 3.58Å; C61-C74 HydrophobicContact CB-CB 3.93Å; C61-C74 WeakPolarHBondContact CB-SG 3.39Å; C61-C74 VanDerWaalsContact SG-CA 3.55Å; C61-C74 WeakPolarHBondContact SG-CB 3.44Å; C61-C74 CovalentContact SG-SG 2.02Å; C61-C74 PolarHBondContact SG-SG 3.29Å
62A93.6Very high92.8Very high102 Ų10278.4 Ų78.484%0.84342%0.416SS*.SBendtrans-85.1-26.1173.300000113.6I60I60-A62 PolarHBondContact O-N 3.08Å
63K96.6Very high92.9Very high137 Ų13774.1 Ų74.160%0.59640%0.4SS*.EExtended strand (participates in β ladder)trans-131.887-174.5-172.6174.3-179.8175.60111.3C61 T75C61-K63 VanDerWaalsContact SG-C 3.52Å; K63-T75 PolarHBondContact O-N 2.98Å
64Y97.2Very high93.1Very high64 Ų6473.4 Ų73.425%0.25140%0.395SS..EExtended strand (participates in β ladder)trans-69147.2173.5-72.7-82.8000111.9W37 F49 C61 N71 G73W37-Y64 HydrophobicContact CH2-CD1 4.19Å; W37-Y64 HydrophobicContact CH2-CE1 4.17Å; W37-Y64 HydrophobicContact CZ2-CD1 4.38Å; W37-Y64 HydrophobicContact CZ2-CE1 4.42Å; F49-Y64 HydrophobicContact CB-CE1 4.01Å; F49-Y64 PolarHBondContact N-OH 3.49Å; C61-Y64 HydrophobicContact CB-CD1 4.34Å; C61-Y64 HydrophobicContact CB-CD2 4.3Å; C61-Y64 HydrophobicContact CB-CE1 3.83Å; C61-Y64 HydrophobicContact CB-CE2 3.77Å; C61-Y64 WeakPolarHBondContact O-CE2 3.34Å; Y64-N71 HydrophobicContact CD1-CB 3.89Å; Y64-N71 HydrophobicContact CE1-CB 4.38Å; Y64-G73 WeakPolarHBondContact CA-O 3.45Å
65L96.2Very high93.5Very high44 Ų4464.4 Ų64.423%0.2336%0.364CS..EExtended strand (participates in β ladder)trans-98.5132.3163.9-58176.4000107.3R34 I72 G73R34-L65 HydrophobicContact CG-CD1 3.87Å; L65-I72 HydrophobicContact CB-CG1 4.14Å; L65-I72 VanDerWaalsContact O-CG1 3.26Å; L65-I72 WeakPolarHBondContact O-CG1 3.46Å; L65-I72 PolarHBondContact O-N 3.28Å; L65-G73 PolarHBondContact N-O 3.04Å; L65-G73 PolarHBondContact O-N 2.9Å
66T95.4Very high94.2Very high92 Ų9258.4 Ų58.456%0.56434%0.336SS*.EExtended strand (participates in β ladder)trans-126.4143.4-174.156.60000112.5R70T66-R70 CarbonylContact C-O 3.56Å; T66-R70 WeakPolarHBondContact CA-O 3.42Å
67E94.6Very high94.6Very high75 Ų7560.6 Ų60.635%0.3535%0.354SS..EExtended strand (participates in β ladder)trans-139.3134.2175.3-179.6-177.4-106.700108.1T42 G69 R70 I72T42-E67 PolarHBondContact OG1-OE2 3.32Å; E67-G69 PolarHBondContact O-N 2.98Å; E67-G69 VanDerWaalsContact O-N 3.08Å; E67-R70 PolarHBondContact N-O 3.28Å; E67-R70 PolarHBondContact O-N 2.64Å; E67-I72 HydrophobicContact CB-CD1 3.78Å; E67-I72 HydrophobicContact CB-CG1 4.1Å; E67-I72 HydrophobicContact CB-CG2 3.8Å
68N90.4Very high94.9Very high139 Ų13959.9 Ų59.974%0.74333%0.334SS*.THydrogen-bonded Turntrans50.734-177.5-57.5-40.1000114.2T42 R70T42-N68 HydrophobicContact CG2-CB 4.44Å; T42-N68 PolarHBondContact OG1-ND2 3.48Å; N68-R70 VanDerWaalsContact C-N 3.27Å; N68-R70 PolarHBondContact O-N 3.4Å
69G90.2Very high94.9Very high66 Ų6657.9 Ų57.968%0.6833%0.326SS*.THydrogen-bonded Turntrans75.28.8-177.500000115.2E67E67-G69 PolarHBondContact O-N 2.98Å; E67-G69 VanDerWaalsContact O-N 3.08Å
70R92.9Very high94.8Very high78 Ų7863.8 Ų63.829%0.29434%0.344SS..EExtended strand (participates in β ladder)trans-116147.2178.5-63.7-172.6176.7155.6-10.1113T42 P43 Q44 N46 T66 E67 N68 I72T42-R70 HydrophobicContact CG2-CB 3.87Å; T42-R70 HydrophobicContact CG2-CG 4.43Å; P43-R70 WeakPolarHBondContact O-CD 3.4Å; P43-R70 VanDerWaalsContact O-CZ 3.31Å; P43-R70 PolarHBondContact O-NE 2.77Å; P43-R70 PolarHBondContact O-NH1 3.46Å; Q44-R70 VanDerWaalsContact O-CZ 3.3Å; Q44-R70 PolarHBondContact O-NH2 2.89Å; Q44-R70 VanDerWaalsContact O-NH2 3.08Å; Q44-R70 VanDerWaalsContact OE1-NH2 3.12Å; N46-R70 WeakPolarHBondContact OD1-CA 3.34Å; N46-R70 WeakPolarHBondContact OD1-CB 3.37Å; T66-R70 CarbonylContact C-O 3.56Å; T66-R70 WeakPolarHBondContact CA-O 3.42Å; E67-R70 PolarHBondContact N-O 3.28Å; E67-R70 PolarHBondContact O-N 2.64Å; N68-R70 VanDerWaalsContact C-N 3.27Å; N68-R70 PolarHBondContact O-N 3.4Å; R70-I72 PolarHBondContact O-N 2.9Å
71N95.1Very high94.6Very high29 Ų2963.4 Ų63.416%0.15534%0.34CS..EExtended strand (participates in β ladder)trans-71.7118.1176.9-65.9-13.8000110.1W37 P43 N46 Y47 Y64W37-N71 HydrophobicContact CZ2-CB 4.05Å; W37-N71 PolarHBondContact NE1-O 3.34Å; P43-N71 VanDerWaalsContact CG-O 3.27Å; P43-N71 WeakPolarHBondContact CG-O 3.42Å; N46-N71 PolarHBondContact OD1-N 3.28Å; Y47-N71 PolarHBondContact O-ND2 3.14Å; Y64-N71 HydrophobicContact CD1-CB 3.89Å; Y64-N71 HydrophobicContact CE1-CB 4.38Å
72I96.1Very high94.4Very high17 Ų1763.1 Ų63.19%0.08734%0.338CS..EExtended strand (participates in β ladder)trans-110.5-13.1178.953.8156000114.1M36 W37 N38 T42 L65 E67 R70M36-I72 WeakPolarHBondContact CA-O 3.47Å; W37-I72 VanDerWaalsContact CE2-C 3.48Å; W37-I72 PolarHBondContact N-O 3.44Å; N38-I72 HydrophobicContact CB-CB 3.84Å; N38-I72 HydrophobicContact CB-CG2 3.81Å; T42-I72 HydrophobicContact CG2-CG2 4.11Å; L65-I72 HydrophobicContact CB-CG1 4.14Å; L65-I72 VanDerWaalsContact O-CG1 3.26Å; L65-I72 WeakPolarHBondContact O-CG1 3.46Å; L65-I72 PolarHBondContact O-N 3.28Å; E67-I72 HydrophobicContact CB-CD1 3.78Å; E67-I72 HydrophobicContact CB-CG1 4.1Å; E67-I72 HydrophobicContact CB-CG2 3.8Å; R70-I72 PolarHBondContact O-N 2.9Å
73G96.9Very high94.4Very high0 Ų058.6 Ų58.60%030%0.299CS..EExtended strand (participates in β ladder)trans-169.8175.5-177.200000113.4C35 W37 Y64 L65C35-G73 CarbonylContact O-C 3.6Å; C35-G73 WeakPolarHBondContact O-CA 3.19Å; W37-G73 VanDerWaalsContact CH2-CA 3.43Å; W37-G73 WeakPolarHBondContact CH2-O 3.39Å; W37-G73 VanDerWaalsContact CZ3-C 3.46Å; W37-G73 VanDerWaalsContact CZ3-CA 3.4Å; Y64-G73 WeakPolarHBondContact CA-O 3.45Å; L65-G73 PolarHBondContact N-O 3.04Å; L65-G73 PolarHBondContact O-N 2.9Å
74C97.8Very high94.3Very high0 Ų056.8 Ų56.80%029%0.291CS..EExtended strand (participates in β ladder)trans-131.6145.7174.4-174.20000110.4R34 C35 W37 F49 C61R34-C74 WeakPolarHBondContact CA-O 3.38Å; C35-C74 PolarHBondContact N-O 2.95Å; C35-C74 PolarHBondContact O-N 2.78Å; W37-C74 HydrophobicContact CH2-CB 4.2Å; W37-C74 HydrophobicContact CZ3-CB 4.12Å; F49-C74 HydrophobicContact CD1-CB 3.81Å; F49-C74 HydrophobicContact CD2-CB 4.39Å; F49-C74 HydrophobicContact CE1-CB 4.07Å; F49-C74 HydrophobicContact CG-CB 3.98Å; F49-C74 HydrophobicContact CZ-CB 4.44Å; C61-C74 VanDerWaalsContact CA-SG 3.58Å; C61-C74 HydrophobicContact CB-CB 3.93Å; C61-C74 WeakPolarHBondContact CB-SG 3.39Å; C61-C74 VanDerWaalsContact SG-CA 3.55Å; C61-C74 WeakPolarHBondContact SG-CB 3.44Å; C61-C74 CovalentContact SG-SG 2.02Å; C61-C74 PolarHBondContact SG-SG 3.29Å
75T97.7Very high94.1Very high23 Ų2355.1 Ų55.114%0.14129%0.286CS..EExtended strand (participates in β ladder)trans-114.1124.6164.1-54.30000109.8I33 K63I33-T75 WeakPolarHBondContact O-CA 3.08Å; K63-T75 PolarHBondContact O-N 2.98Å
76L95.3Very high94Very high9 Ų955.1 Ų55.15%0.04729%0.29CS..EExtended strand (participates in β ladder)trans-113.2153.3178.8-57.5166.7000110S32 I33 F49 S51 F87S32-L76 CarbonylContact C-O 3.5Å; S32-L76 VanDerWaalsContact CA-O 3.23Å; S32-L76 WeakPolarHBondContact CA-O 3.49Å; S32-L76 VanDerWaalsContact CB-O 3.22Å; S32-L76 WeakPolarHBondContact CB-O 3.31Å; I33-L76 HydrophobicContact CB-CB 4.32Å; I33-L76 PolarHBondContact N-O 3.15Å; I33-L76 PolarHBondContact O-N 2.7Å; F49-L76 HydrophobicContact CE1-CD1 3.98Å; F49-L76 HydrophobicContact CE1-CD2 4.34Å; F49-L76 HydrophobicContact CE1-CG 4.46Å; F49-L76 HydrophobicContact CZ-CD1 4.33Å; S51-L76 WeakPolarHBondContact OG-CD1 3.35Å; L76-F87 HydrophobicContact CD1-CE2 4.44Å; L76-F87 HydrophobicContact CD1-CZ 3.69Å
77P94.3Very high94.1Very high87 Ų8750.8 Ų50.857%0.56526%0.263SS*.EExtended strand (participates in β ladder)trans-62144.2165.529.5-34.9000110.1
78Y93.7Very high94.2Very high41 Ų4149.7 Ų49.716%0.16126%0.256CS..  trans-86.9129.2175.2172.7-104.7000111.3V27 L30 E31 I33 R80 R83V27-Y78 HydrophobicContact CG1-CD2 3.47Å; V27-Y78 VanDerWaalsContact CG1-CD2 3.47Å; V27-Y78 HydrophobicContact CG1-CE2 3.57Å; V27-Y78 HydrophobicContact CG1-CG 4.13Å; V27-Y78 HydrophobicContact CG2-CD2 4.3Å; V27-Y78 HydrophobicContact CG2-CE2 4.14Å; L30-Y78 HydrophobicContact CB-CD1 4.3Å; L30-Y78 HydrophobicContact CB-CE1 4.01Å; L30-Y78 HydrophobicContact CD2-CE1 4Å; L30-Y78 HydrophobicContact CD2-CE2 4.34Å; L30-Y78 WeakPolarHBondContact O-CD1 3.48Å; E31-Y78 VanDerWaalsContact C-CB 3.45Å; E31-Y78 WeakPolarHBondContact O-CB 3.34Å; E31-Y78 PolarHBondContact O-N 3Å; I33-Y78 HydrophobicContact CD1-CD2 4.37Å; I33-Y78 HydrophobicContact CG1-CD2 4.03Å; Y78-R80 HydrophobicContact CE1-CB 4.48Å; Y78-R83 HydrophobicContact CE2-CB 4.03Å; Y78-R83 VanDerWaalsContact OH-CD 3.32Å; Y78-R83 WeakPolarHBondContact OH-CD 3.32Å
79I92.7Very high94.5Very high65 Ų6543.1 Ų43.133%0.33322%0.221SC..  trans-116.2135.6169.3-67.5161000107.3E81 Q82I79-E81 VanDerWaalsContact C-N 3.27Å; I79-E81 HydrophobicContact CG2-CB 4.38Å; I79-E81 WeakPolarHBondContact CG2-OE2 3.32Å; I79-E81 PolarHBondContact O-N 2.82Å; I79-Q82 HydrophobicContact CB-CG 4Å; I79-Q82 HydrophobicContact CG2-CG 4.44Å; I79-Q82 WeakPolarHBondContact O-CB 3.26Å; I79-Q82 PolarHBondContact O-N 2.86Å; I79-Q82 PolarHBondContact O-OE1 3.03Å
80R91.6Very high94.8Very high167 Ų16741 Ų4163%0.6319%0.193SC*.SBendtrans-63.3-35.4-167.6-174.8-177.3-179.1-150.90.2112.7Y78 R83 F84Y78-R80 HydrophobicContact CE1-CB 4.48Å; R80-R83 WeakPolarHBondContact O-CB 3.33Å; R80-R83 PolarHBondContact O-N 3.25Å; R80-F84 HydrophobicContact CG-CE2 4.31Å; R80-F84 WeakPolarHBondContact O-CD2 3.48Å
81E92.1Very high94.9Very high89 Ų8937.3 Ų37.342%0.41618%0.179SC..G310 helixtrans-63.9-40.8-176.8-67.660.9-138.300110.7I79 R83 F84 E85I79-E81 VanDerWaalsContact C-N 3.27Å; I79-E81 HydrophobicContact CG2-CB 4.38Å; I79-E81 WeakPolarHBondContact CG2-OE2 3.32Å; I79-E81 PolarHBondContact O-N 2.82Å; E81-R83 PolarHBondContact O-N 3.16Å; E81-F84 PolarHBondContact O-N 3.29Å; E81-E85 WeakPolarHBondContact O-CG 3.49Å
82Q93.2Very high94.9Very high2 Ų239.1 Ų39.11%0.00918%0.184CC..G310 helixtrans-54.5-24.2176.8-61171.3-43.800113.4I33 I79 F87I33-Q82 HydrophobicContact CD1-CB 4.31Å; I79-Q82 HydrophobicContact CB-CG 4Å; I79-Q82 HydrophobicContact CG2-CG 4.44Å; I79-Q82 WeakPolarHBondContact O-CB 3.26Å; I79-Q82 PolarHBondContact O-N 2.86Å; I79-Q82 PolarHBondContact O-OE1 3.03Å; Q82-F87 HydrophobicContact CB-CD2 4.35Å
83R93.3Very high94.8Very high7 Ų740.8 Ų40.83%0.02619%0.193CC..G310 helixtrans-74.8-25.7180-174.3168.9172.1-129.7-5.3113.5Y78 R80 E81 K105 C187 G188Y78-R83 HydrophobicContact CE2-CB 4.03Å; Y78-R83 VanDerWaalsContact OH-CD 3.32Å; Y78-R83 WeakPolarHBondContact OH-CD 3.32Å; R80-R83 WeakPolarHBondContact O-CB 3.33Å; R80-R83 PolarHBondContact O-N 3.25Å; E81-R83 PolarHBondContact O-N 3.16Å; R83-K105 VanDerWaalsContact CZ-O 3.3Å; R83-K105 PolarHBondContact NE-O 3.36Å; R83-K105 VanDerWaalsContact NE-O 3.07Å; R83-K105 PolarHBondContact NH2-O 2.88Å; R83-K105 WeakPolarHBondContact O-CA 3.47Å; R83-K105 PolarHBondContact O-N 3.12Å; R83-K105 VanDerWaalsContact O-N 3.08Å; R83-C187 PolarHBondContact NH1-O 2.77Å; R83-C187 PolarHBondContact NH2-O 2.74Å; R83-G188 PolarHBondContact NH2-O 3.01Å
84F93.4Very high94.4Very high99 Ų9944.6 Ų44.643%0.43423%0.232SC..SBendtrans-115.317.8-171.5-57.5-75.7000112.3R80 E81 K105R80-F84 HydrophobicContact CG-CE2 4.31Å; R80-F84 WeakPolarHBondContact O-CD2 3.48Å; E81-F84 PolarHBondContact O-N 3.29Å; F84-K105 HydrophobicContact CD1-CG 4.19Å; F84-K105 HydrophobicContact CE1-CG 4.25Å
85E93.1Very high94Very high29 Ų2950.5 Ų50.514%0.13627%0.273CS..SBendtrans-140.6167178.470.5-170.1-156.900111S53 R54 H55 E81 F87S53-E85 WeakPolarHBondContact CB-OE1 3.3Å; S53-E85 PolarHBondContact OG-OE1 2.89Å; R54-E85 WeakPolarHBondContact CB-OE2 3.16Å; R54-E85 PolarHBondContact N-OE1 3.28Å; H55-E85 IonicContact CE1-OE2 3.52Å; H55-E85 PolarHBondContact CE1-OE2 3.41Å; H55-E85 IonicContact CG-OE2 2.66Å; H55-E85 PolarHBondContact N-OE1 2.98Å; H55-E85 IonicContact ND1-OE1 3.71Å; H55-E85 IonicContact ND1-OE2 3.04Å; H55-E85 PolarHBondContact ND1-OE2 2.98Å; E81-E85 WeakPolarHBondContact O-CG 3.49Å; E85-F87 PolarHBondContact O-N 2.74Å; E85-F87 VanDerWaalsContact O-N 3.17Å
86S94.8Very high93.7Very high44 Ų4453.6 Ų53.631%0.30829%0.285SS..EExtended strand (participates in β ladder)trans-60.3114.6173.6-59.20000111.3Y88 E101S86-Y88 VanDerWaalsContact CB-CE2 3.43Å; S86-Y88 WeakPolarHBondContact CB-OH 3.23Å; S86-E101 WeakPolarHBondContact CB-OE1 3.35Å; S86-E101 PolarHBondContact OG-OE1 2.8Å
87F96.6Very high93.6Very high0 Ų056.7 Ų56.70%030%0.304CS..EExtended strand (participates in β ladder)trans-100.3116.9174.9-177.9-99.7000109.5I33 L76 Q82 E85 T89 H102 L104I33-F87 HydrophobicContact CD1-CE2 4.09Å; I33-F87 HydrophobicContact CD1-CZ 4.32Å; I33-F87 HydrophobicContact CG2-CE1 4.45Å; I33-F87 HydrophobicContact CG2-CZ 4.44Å; L76-F87 HydrophobicContact CD1-CE2 4.44Å; L76-F87 HydrophobicContact CD1-CZ 3.69Å; Q82-F87 HydrophobicContact CB-CD2 4.35Å; E85-F87 PolarHBondContact O-N 2.74Å; E85-F87 VanDerWaalsContact O-N 3.17Å; F87-T89 HydrophobicContact CD1-CG2 3.97Å; F87-T89 HydrophobicContact CE1-CG2 3.46Å; F87-T89 VanDerWaalsContact CE1-CG2 3.46Å; F87-T89 HydrophobicContact CZ-CG2 4.35Å; F87-H102 HydrophobicContact CD1-CB 4.41Å; F87-H102 PolarHBondContact N-O 3.43Å; F87-H102 VanDerWaalsContact N-O 3.08Å; F87-H102 PolarHBondContact O-CD2 3.35Å; F87-H102 PolarHBondContact O-N 2.96Å; F87-L104 HydrophobicContact CB-CD1 3.74Å; F87-L104 HydrophobicContact CB-CG 3.95Å; F87-L104 HydrophobicContact CD1-CD1 3.87Å; F87-L104 HydrophobicContact CD1-CG 4.33Å; F87-L104 HydrophobicContact CD2-CD1 4.01Å; F87-L104 HydrophobicContact CE1-CD1 4.47Å; F87-L104 HydrophobicContact CG-CD1 3.6Å; F87-L104 HydrophobicContact CG-CG 4.22Å
88Y96.6Very high93.6Very high52 Ų5254.3 Ų54.320%0.20428%0.284CS..EExtended strand (participates in β ladder)trans-103.2135.6-177.2-60.5-90.9000110.4S51 R52 S86 K100 E101S51-Y88 CarbonylContact C-O 3.56Å; S51-Y88 VanDerWaalsContact CA-O 3.29Å; S51-Y88 WeakPolarHBondContact CA-O 3.47Å; R52-Y88 HydrophobicContact CG-CD2 4.34Å; R52-Y88 HydrophobicContact CG-CG 4.33Å; R52-Y88 VanDerWaalsContact CZ-CG 3.45Å; R52-Y88 PolarHBondContact N-O 3.29Å; R52-Y88 VanDerWaalsContact NH1-CD2 3.26Å; R52-Y88 VanDerWaalsContact NH2-CD1 3.28Å; R52-Y88 PolarHBondContact O-N 3.05Å; S86-Y88 VanDerWaalsContact CB-CE2 3.43Å; S86-Y88 WeakPolarHBondContact CB-OH 3.23Å; Y88-K100 WeakPolarHBondContact CA-O 3.43Å; Y88-E101 HydrophobicContact CD1-CB 3.85Å; Y88-E101 HydrophobicContact CD1-CG 4.03Å; Y88-E101 HydrophobicContact CE1-CB 3.67Å; Y88-E101 VanDerWaalsContact CE1-CD 3.5Å; Y88-E101 HydrophobicContact CE1-CG 3.57Å; Y88-E101 WeakPolarHBondContact CE1-OE2 3.38Å; Y88-E101 VanDerWaalsContact CZ-OE2 3.31Å; Y88-E101 VanDerWaalsContact OH-CD 3.22Å; Y88-E101 PolarHBondContact OH-OE1 2.99Å; Y88-E101 PolarHBondContact OH-OE2 3.26Å
89T96.9Very high93.6Very high1 Ų157.2 Ų57.21%0.00630%0.299CS..EExtended strand (participates in β ladder)trans-121.1143.517361.30000111V23 C25 F49 Y50 F87 E99 K100 H102V23-T89 HydrophobicContact CG1-CG2 4.3Å; C25-T89 VanDerWaalsContact SG-CG2 3.59Å; F49-T89 HydrophobicContact CE2-CG2 3.73Å; F49-T89 HydrophobicContact CZ-CG2 3.6Å; Y50-T89 WeakPolarHBondContact O-CA 3.33Å; F87-T89 HydrophobicContact CD1-CG2 3.97Å; F87-T89 HydrophobicContact CE1-CG2 3.46Å; F87-T89 VanDerWaalsContact CE1-CG2 3.46Å; F87-T89 HydrophobicContact CZ-CG2 4.35Å; T89-E99 CarbonylContact O-C 3.6Å; T89-E99 WeakPolarHBondContact O-CA 3.36Å; T89-K100 PolarHBondContact N-O 2.89Å; T89-K100 PolarHBondContact O-N 3.29Å; T89-K100 PolarHBondContact OG1-O 3.35Å; T89-H102 PolarHBondContact OG1-NE2 2.82Å
90E96Very high93.7Very high23 Ų2357.3 Ų57.311%0.10730%0.297CS..EExtended strand (participates in β ladder)trans-132.6132.1177.3-161.2-169.3138.500111F49 Y50 R92 T97 Y98 E99F49-E90 WeakPolarHBondContact CA-O 3.34Å; Y50-E90 PolarHBondContact N-O 2.86Å; Y50-E90 PolarHBondContact O-N 3.07Å; E90-R92 VanDerWaalsContact CD-NH2 3.31Å; E90-R92 VanDerWaalsContact OE1-CG 3.28Å; E90-R92 WeakPolarHBondContact OE1-CG 3.37Å; E90-R92 IonicContact OE1-CZ 3.07Å; E90-R92 IonicContact OE1-NE 2.88Å; E90-R92 PolarHBondContact OE1-NE 3.42Å; E90-R92 IonicContact OE1-NH2 3.95Å; E90-R92 PolarHBondContact OE1-NH2 3.21Å; E90-R92 IonicContact OE2-CZ 2.66Å; E90-R92 IonicContact OE2-NE 3.78Å; E90-R92 IonicContact OE2-NH2 2.67Å; E90-R92 PolarHBondContact OE2-NH2 2.9Å; E90-T97 VanDerWaalsContact CD-CG2 3.41Å; E90-T97 HydrophobicContact CG-CG2 3.59Å; E90-T97 WeakPolarHBondContact OE1-CG2 3.25Å; E90-T97 PolarHBondContact OE1-OG1 2.87Å; E90-Y98 CarbonylContact C-O 3.6Å; E90-Y98 WeakPolarHBondContact CA-O 3.48Å; E90-E99 HydrophobicContact CG-CB 4.38Å
91L96.3Very high93.9Very high0 Ų054.3 Ų54.30%029%0.291CS..EExtended strand (participates in β ladder)trans-105.1122.3168.1-64.4178.2000109.7P21 V23 W37 Y47 F49 T97 Y98P21-L91 HydrophobicContact CB-CD1 3.86Å; P21-L91 HydrophobicContact CG-CD1 3.84Å; V23-L91 HydrophobicContact CG2-CD1 3.64Å; V23-L91 HydrophobicContact CG2-CG 3.86Å; W37-L91 HydrophobicContact CB-CD1 3.93Å; W37-L91 HydrophobicContact CD2-CD1 4.09Å; W37-L91 HydrophobicContact CD2-CD2 3.84Å; W37-L91 HydrophobicContact CE3-CD2 3.81Å; W37-L91 HydrophobicContact CG-CD1 3.82Å; W37-L91 HydrophobicContact CG-CD2 4.45Å; W37-L91 HydrophobicContact CH2-CD2 4.13Å; W37-L91 HydrophobicContact CZ2-CD2 4.17Å; W37-L91 HydrophobicContact CZ3-CD2 3.97Å; Y47-L91 HydrophobicContact CD1-CB 4.05Å; Y47-L91 HydrophobicContact CD2-CD1 4.07Å; Y47-L91 HydrophobicContact CG-CB 4.04Å; Y47-L91 HydrophobicContact CG-CD1 4.19Å; Y47-L91 HydrophobicContact CG-CD2 4.39Å; Y47-L91 HydrophobicContact CG-CG 4.45Å; F49-L91 HydrophobicContact CB-CD2 4.01Å; F49-L91 HydrophobicContact CD2-CD2 3.79Å; F49-L91 HydrophobicContact CG-CD2 4.39Å; L91-T97 WeakPolarHBondContact O-CA 3.15Å; L91-Y98 HydrophobicContact CB-CD2 4.33Å; L91-Y98 PolarHBondContact N-O 3.17Å; L91-Y98 PolarHBondContact O-N 3.11Å
92R95.1Very high94.1Very high66 Ų6651 Ų5125%0.24928%0.275CS..EExtended strand (participates in β ladder)trans-105.2132.6174.9-61.7-171.5-178.9137.412.3111.3Y47 T48 Y50 E58 E90 K96Y47-R92 WeakPolarHBondContact CA-O 3.43Å; T48-R92 PolarHBondContact N-O 3.13Å; T48-R92 PolarHBondContact O-N 2.88Å; Y50-R92 HydrophobicContact CD2-CG 4.02Å; Y50-R92 HydrophobicContact CE2-CB 4.2Å; Y50-R92 VanDerWaalsContact CE2-CD 3.47Å; Y50-R92 HydrophobicContact CE2-CG 3.84Å; E58-R92 IonicContact OE1-CZ 2.67Å; E58-R92 IonicContact OE1-NH1 2.74Å; E58-R92 PolarHBondContact OE1-NH1 2.94Å; E58-R92 IonicContact OE1-NH2 3.59Å; E58-R92 PolarHBondContact OE1-NH2 2.98Å; E58-R92 IonicContact OE2-NH1 2.67Å; E58-R92 PolarHBondContact OE2-NH1 3.48Å; E90-R92 VanDerWaalsContact CD-NH2 3.31Å; E90-R92 VanDerWaalsContact OE1-CG 3.28Å; E90-R92 WeakPolarHBondContact OE1-CG 3.37Å; E90-R92 IonicContact OE1-CZ 3.07Å; E90-R92 IonicContact OE1-NE 2.88Å; E90-R92 PolarHBondContact OE1-NE 3.42Å; E90-R92 IonicContact OE1-NH2 3.95Å; E90-R92 PolarHBondContact OE1-NH2 3.21Å; E90-R92 IonicContact OE2-CZ 2.66Å; E90-R92 IonicContact OE2-NE 3.78Å; E90-R92 IonicContact OE2-NH2 2.67Å; E90-R92 PolarHBondContact OE2-NH2 2.9Å; R92-K96 WeakPolarHBondContact CA-O 3.13Å
93D92.9Very high94.2Very high53 Ų5355.5 Ų55.528%0.28330%0.299SS..EExtended strand (participates in β ladder)trans-135.598.5168.7172.638.8000109.3V45 Y47 S95 K96V45-D93 HydrophobicContact CG2-CB 4.23Å; Y47-D93 HydrophobicContact CD1-CB 3.68Å; Y47-D93 HydrophobicContact CE1-CB 3.62Å; D93-S95 PolarHBondContact O-N 3.33Å; D93-S95 VanDerWaalsContact O-N 3.1Å; D93-K96 PolarHBondContact N-O 3.01Å; D93-K96 WeakPolarHBondContact O-CB 3.35Å; D93-K96 PolarHBondContact O-N 2.87Å
94G89.1Confident94.3Very high79 Ų7955.1 Ų55.181%0.81430%0.298SS*.THydrogen-bonded Turntrans58.5-113.8-17300000111.8
95S89Confident94.3Very high124 Ų12455.1 Ų55.187%0.86730%0.298SS*.THydrogen-bonded Turntrans-93.32.217670.10000114.1D93D93-S95 PolarHBondContact O-N 3.33Å; D93-S95 VanDerWaalsContact O-N 3.1Å
96K91.1Very high94.5Very high88 Ų8855.6 Ų55.638%0.38330%0.302SS..EExtended strand (participates in β ladder)trans-95.6130.9178.9-61.6-178.9179.5-178.10109.6R92 D93 Y98R92-K96 WeakPolarHBondContact CA-O 3.13Å; D93-K96 PolarHBondContact N-O 3.01Å; D93-K96 WeakPolarHBondContact O-CB 3.35Å; D93-K96 PolarHBondContact O-N 2.87Å; K96-Y98 HydrophobicContact CB-CE2 4.13Å
97T93.5Very high94.6Very high75 Ų7556.4 Ų56.446%0.4630%0.3SS..EExtended strand (participates in β ladder)trans-125.8133.7179.2-83.90000108.9E90 L91E90-T97 VanDerWaalsContact CD-CG2 3.41Å; E90-T97 HydrophobicContact CG-CG2 3.59Å; E90-T97 WeakPolarHBondContact OE1-CG2 3.25Å; E90-T97 PolarHBondContact OE1-OG1 2.87Å; L91-T97 WeakPolarHBondContact O-CA 3.15Å
98Y93.8Very high94.6Very high36 Ų3656.4 Ų56.414%0.14130%0.3CS..EExtended strand (participates in β ladder)trans-125.2101.2175.8-52.5-70.9000109.2Y20 P21 Y47 E90 L91 K96Y20-Y98 AromaticContact CD1-CD1 3.7Å; Y20-Y98 HydrophobicContact CD1-CD1 3.7Å; Y20-Y98 AromaticContact CD1-CE1 3.49Å; Y20-Y98 HydrophobicContact CD1-CE1 3.49Å; Y20-Y98 VanDerWaalsContact CD1-CE1 3.49Å; Y20-Y98 HydrophobicContact CE1-CD1 4.43Å; Y20-Y98 AromaticContact CE1-CE1 3.96Å; Y20-Y98 HydrophobicContact CE1-CE1 3.96Å; P21-Y98 HydrophobicContact CG-CD2 3.67Å; P21-Y98 HydrophobicContact CG-CE2 4.08Å; P21-Y98 HydrophobicContact CG-CG 3.92Å; Y47-Y98 HydrophobicContact CE1-CD2 4.07Å; Y47-Y98 AromaticContact CE1-CE2 3.76Å; Y47-Y98 HydrophobicContact CE1-CE2 3.76Å; E90-Y98 CarbonylContact C-O 3.6Å; E90-Y98 WeakPolarHBondContact CA-O 3.48Å; L91-Y98 HydrophobicContact CB-CD2 4.33Å; L91-Y98 PolarHBondContact N-O 3.17Å; L91-Y98 PolarHBondContact O-N 3.11Å; K96-Y98 HydrophobicContact CB-CE2 4.13Å
99E94.7Very high94.6Very high103 Ų10356.6 Ų56.648%0.48130%0.302SS..EExtended strand (participates in β ladder)trans-96.8143.1178.6-172.4172.7-15300111.4R52 T89 E90R52-E99 IonicContact CZ-OE1 2.76Å; R52-E99 IonicContact NE-OE1 3.36Å; R52-E99 PolarHBondContact NE-OE1 3.49Å; R52-E99 IonicContact NH2-OE1 3.34Å; R52-E99 PolarHBondContact NH2-OE1 3.18Å; T89-E99 CarbonylContact O-C 3.6Å; T89-E99 WeakPolarHBondContact O-CA 3.36Å; E90-E99 HydrophobicContact CG-CB 4.38Å
100K95.1Very high94.6Very high67 Ų6756.8 Ų56.829%0.29130%0.303SS..EExtended strand (participates in β ladder)trans-144.2135173.6-175.5172.8176.2-178.50110.9D22 V23 Y88 T89 H102D22-K100 VanDerWaalsContact CG-NZ 3.27Å; D22-K100 IonicContact OD1-NZ 3.35Å; D22-K100 PolarHBondContact OD1-NZ 2.84Å; D22-K100 IonicContact OD2-NZ 3.22Å; D22-K100 PolarHBondContact OD2-NZ 3.3Å; D22-K100 VanDerWaalsContact OD2-NZ 3.15Å; V23-K100 WeakPolarHBondContact O-CD 3.08Å; V23-K100 WeakPolarHBondContact O-CE 3.19Å; V23-K100 PolarHBondContact O-NZ 3.49Å; Y88-K100 WeakPolarHBondContact CA-O 3.43Å; T89-K100 PolarHBondContact N-O 2.89Å; T89-K100 PolarHBondContact O-N 3.29Å; T89-K100 PolarHBondContact OG1-O 3.35Å; K100-H102 PolarHBondContact O-CD2 2.9Å
101E95.7Very high94.6Very high104 Ų10458.6 Ų58.649%0.48631%0.314SS..EExtended strand (participates in β ladder)trans-89.1140.9169.7-172.3172.4160.500110.5S86 Y88S86-E101 WeakPolarHBondContact CB-OE1 3.35Å; S86-E101 PolarHBondContact OG-OE1 2.8Å; Y88-E101 HydrophobicContact CD1-CB 3.85Å; Y88-E101 HydrophobicContact CD1-CG 4.03Å; Y88-E101 HydrophobicContact CE1-CB 3.67Å; Y88-E101 VanDerWaalsContact CE1-CD 3.5Å; Y88-E101 HydrophobicContact CE1-CG 3.57Å; Y88-E101 WeakPolarHBondContact CE1-OE2 3.38Å; Y88-E101 VanDerWaalsContact CZ-OE2 3.31Å; Y88-E101 VanDerWaalsContact OH-CD 3.22Å; Y88-E101 PolarHBondContact OH-OE1 2.99Å; Y88-E101 PolarHBondContact OH-OE2 3.26Å
102H95.7Very high94.7Very high20 Ų2060.5 Ų60.59%0.09333%0.326CS..EExtended strand (participates in β ladder)trans-129.8136.4179.3-54.2-109.2000110.2V23 F87 T89 K100 L104V23-H102 PolarHBondContact O-CE1 2.77Å; V23-H102 VanDerWaalsContact O-CE1 3.29Å; F87-H102 HydrophobicContact CD1-CB 4.41Å; F87-H102 PolarHBondContact N-O 3.43Å; F87-H102 VanDerWaalsContact N-O 3.08Å; F87-H102 PolarHBondContact O-CD2 3.35Å; F87-H102 PolarHBondContact O-N 2.96Å; T89-H102 PolarHBondContact OG1-NE2 2.82Å; K100-H102 PolarHBondContact O-CD2 2.9Å; H102-L104 HydrophobicContact CB-CD2 4.28Å
103D94.6Very high94.7Very high95 Ų9557.6 Ų57.651%0.50832%0.316SS..EExtended strand (participates in β ladder)trans-90.5115.1159.5-178-1.6000108.5K105 K107D103-K105 WeakPolarHBondContact OD1-CB 3.37Å; D103-K105 PolarHBondContact OD1-N 2.87Å; D103-K107 VanDerWaalsContact O-CG 3.26Å; D103-K107 WeakPolarHBondContact O-CG 3.31Å
104L96Very high94.8Very high0 Ų058.1 Ų58.10%032%0.321CS..  trans-90.2-5.4179.5-65.3-176.6000113.3C25 V27 I33 F87 H102 T106 K107C25-L104 HydrophobicContact CB-CD2 3.84Å; V27-L104 HydrophobicContact CG2-CB 4.22Å; V27-L104 HydrophobicContact CG2-CD1 4.41Å; I33-L104 HydrophobicContact CD1-CD1 3.7Å; I33-L104 HydrophobicContact CG1-CD1 4.42Å; I33-L104 HydrophobicContact CG2-CD1 4.43Å; F87-L104 HydrophobicContact CB-CD1 3.74Å; F87-L104 HydrophobicContact CB-CG 3.95Å; F87-L104 HydrophobicContact CD1-CD1 3.87Å; F87-L104 HydrophobicContact CD1-CG 4.33Å; F87-L104 HydrophobicContact CD2-CD1 4.01Å; F87-L104 HydrophobicContact CE1-CD1 4.47Å; F87-L104 HydrophobicContact CG-CD1 3.6Å; F87-L104 HydrophobicContact CG-CG 4.22Å; H102-L104 HydrophobicContact CB-CD2 4.28Å; L104-T106 PolarHBondContact O-N 2.84Å; L104-K107 PolarHBondContact O-N 2.87Å; L104-K107 VanDerWaalsContact O-N 3.12Å
105K94.6Very high95Very high99 Ų9959.8 Ų59.843%0.4331%0.311SS..SBendtrans-55.4-49.2-173.7-177.2-179.5175-175.20111.9R83 F84 D103R83-K105 VanDerWaalsContact CZ-O 3.3Å; R83-K105 PolarHBondContact NE-O 3.36Å; R83-K105 VanDerWaalsContact NE-O 3.07Å; R83-K105 PolarHBondContact NH2-O 2.88Å; R83-K105 WeakPolarHBondContact O-CA 3.47Å; R83-K105 PolarHBondContact O-N 3.12Å; R83-K105 VanDerWaalsContact O-N 3.08Å; F84-K105 HydrophobicContact CD1-CG 4.19Å; F84-K105 HydrophobicContact CE1-CG 4.25Å; D103-K105 WeakPolarHBondContact OD1-CB 3.37Å; D103-K105 PolarHBondContact OD1-N 2.87Å
106T95.9Very high95.2Very high38 Ų3855.4 Ų55.423%0.23328%0.278CS..SBendtrans-90.8-7.7-179.664.30000113.5L104 V108 E189 S190 E191L104-T106 PolarHBondContact O-N 2.84Å; T106-V108 PolarHBondContact O-N 3.33Å; T106-E189 WeakPolarHBondContact CA-O 3.49Å; T106-S190 WeakPolarHBondContact O-CA 3.48Å; T106-S190 PolarHBondContact O-OG 3Å; T106-E191 VanDerWaalsContact CB-OE1 3.29Å; T106-E191 WeakPolarHBondContact CB-OE1 3.41Å; T106-E191 PolarHBondContact O-N 2.96Å; T106-E191 PolarHBondContact OG1-OE1 2.66Å
107K96.9Very high95.4Very high62 Ų6254.4 Ų54.427%0.2728%0.279SS..  trans-9559-171.5-51-57.4-176.4-164.80111.7L26 V27 D103 L104 E191 F192L26-K107 HydrophobicContact CD1-CB 4.29Å; L26-K107 WeakPolarHBondContact CD1-O 3.39Å; V27-K107 WeakPolarHBondContact CB-O 3.15Å; V27-K107 PolarHBondContact N-O 3.38Å; D103-K107 VanDerWaalsContact O-CG 3.26Å; D103-K107 WeakPolarHBondContact O-CG 3.31Å; L104-K107 PolarHBondContact O-N 2.87Å; L104-K107 VanDerWaalsContact O-N 3.12Å; K107-E191 IonicContact NZ-OE1 3.25Å; K107-E191 PolarHBondContact NZ-OE1 2.75Å; K107-E191 IonicContact NZ-OE2 2.66Å; K107-E191 PolarHBondContact NZ-OE2 3.15Å; K107-F192 HydrophobicContact CB-CE2 4.48Å; K107-F192 HydrophobicContact CD-CE2 3.87Å
108V97.1Very high95.5Very high0 Ų052.6 Ų52.60%027%0.268CS..EExtended strand (participates in β ladder)trans-121.2110.8178.6-169.80000112.2V27 L30 T106 L110 L183 S190V27-V108 HydrophobicContact CB-CB 4.36Å; V27-V108 HydrophobicContact CB-CG1 4.22Å; V27-V108 HydrophobicContact CB-CG2 4.04Å; V27-V108 HydrophobicContact CG1-CG1 4.29Å; V27-V108 HydrophobicContact CG2-CG2 4.34Å; V27-V108 CarbonylContact O-C 3.55Å; V27-V108 WeakPolarHBondContact O-CA 3.4Å; L30-V108 HydrophobicContact CD2-CG1 3.74Å; L30-V108 HydrophobicContact CD2-CG2 4.25Å; L30-V108 HydrophobicContact CG-CG1 4.04Å; T106-V108 PolarHBondContact O-N 3.33Å; V108-L110 HydrophobicContact CG1-CD2 4.1Å; V108-L183 HydrophobicContact CB-CD1 3.94Å; V108-L183 HydrophobicContact CG1-CD1 3.81Å; V108-L183 HydrophobicContact CG2-CD1 3.98Å; V108-S190 PolarHBondContact N-OG 3.44Å; V108-S190 WeakPolarHBondContact O-CB 3.28Å; V108-S190 PolarHBondContact O-OG 3.44Å
109K97.3Very high95.4Very high56 Ų5657.1 Ų57.124%0.24329%0.288CS..EExtended strand (participates in β ladder)trans-94.2110.5168.1-166.9179.5-171.7-168.50109.5L26 V27 N29 F192 D195L26-K109 HydrophobicContact CD1-CB 4.31Å; L26-K109 HydrophobicContact CD2-CB 3.91Å; L26-K109 HydrophobicContact CG-CB 4.26Å; V27-K109 PolarHBondContact O-N 2.91Å; N29-K109 PolarHBondContact N-O 2.83Å; K109-F192 HydrophobicContact CB-CB 4.16Å; K109-F192 HydrophobicContact CG-CB 4.35Å; K109-D195 WeakPolarHBondContact CE-OD2 3.28Å; K109-D195 IonicContact NZ-OD1 2.69Å; K109-D195 PolarHBondContact NZ-OD1 2.74Å; K109-D195 IonicContact NZ-OD2 3.43Å; K109-D195 PolarHBondContact NZ-OD2 2.66Å
110L96.7Very high95.1Very high5 Ų556.7 Ų56.73%0.02629%0.289CS..PPolyproline II helixtrans-71.4152170.7-62.4-176.9000110.7L30 V108 V134 V139 L183 S194L30-L110 HydrophobicContact CD1-CD2 4.47Å; L30-L110 HydrophobicContact CG-CD2 4.4Å; V108-L110 HydrophobicContact CG1-CD2 4.1Å; L110-V134 HydrophobicContact CD2-CG2 4.1Å; L110-V139 HydrophobicContact CD1-CG1 4.27Å; L110-V139 HydrophobicContact CD1-CG2 4.42Å; L110-L183 HydrophobicContact CD1-CD2 4.14Å; L110-L183 HydrophobicContact CD1-CG 4.16Å; L110-L183 HydrophobicContact CD2-CD2 4.34Å; L110-L183 HydrophobicContact CD2-CG 4.23Å; L110-L183 HydrophobicContact CG-CG 4.35Å; L110-S194 WeakPolarHBondContact O-CA 3.43Å; L110-S194 WeakPolarHBondContact O-CB 3.21Å
111N96.6Very high94.5Very high61 Ų6155.1 Ų55.133%0.32629%0.289SS..PPolyproline II helixtrans-69.4152.6166.1-72.5-20.4000110N29 T133N29-N111 HydrophobicContact CB-CB 4.26Å; N29-N111 WeakPolarHBondContact CB-ND2 3.4Å; N29-N111 VanDerWaalsContact CG-ND2 3.26Å; N29-N111 PolarHBondContact ND2-ND2 2.93Å; N29-N111 WeakPolarHBondContact OD1-CB 2.88Å; N29-N111 PolarHBondContact OD1-N 2.95Å; N111-T133 HydrophobicContact CB-CG2 3.8Å
112P96.6Very high93.8Very high40 Ų4056.5 Ų56.526%0.2631%0.31SS..PPolyproline II helixtrans-58.6146.8175.723.3-33.7000111.8T133 D195P112-T133 WeakPolarHBondContact O-CG2 3.44Å; P112-D195 WeakPolarHBondContact CB-O 3.39Å
113P95.6Very high93.3Very high5 Ų558.7 Ų58.73%0.03232%0.322CS..PPolyproline II helixtrans-55.8146.8170.3-26.837000112.9L116 W130 N131 V179 S197P113-L116 HydrophobicContact CB-CD1 4.34Å; P113-W130 HydrophobicContact CB-CB 4.28Å; P113-W130 HydrophobicContact CB-CG 4.22Å; P113-N131 CarbonylContact C-O 3.58Å; P113-N131 WeakPolarHBondContact CA-O 3.13Å; P113-V179 HydrophobicContact CB-CB 4.28Å; P113-V179 HydrophobicContact CB-CG1 4.36Å; P113-V179 HydrophobicContact CG-CB 4.12Å; P113-V179 HydrophobicContact CG-CG1 3.88Å; P113-S197 VanDerWaalsContact O-CB 3.25Å; P113-S197 WeakPolarHBondContact O-CB 3.4Å
114T94.4Very high92.8Very high64 Ų6460 Ų6039%0.39333%0.328SS..EExtended strand (participates in β ladder)trans-119.8171.2-175.359.30000111.4L116 N131 T133T114-L116 VanDerWaalsContact C-N 3.29Å; T114-L116 PolarHBondContact O-N 3.44Å; T114-N131 PolarHBondContact N-O 2.71Å; T114-N131 PolarHBondContact O-N 2.89Å; T114-T133 HydrophobicContact CG2-CG2 4.07Å
115N93.6Very high92.7Very high114 Ų11461.3 Ų61.361%0.6134%0.336SS*.EExtended strand (participates in β ladder)trans52.544.4179.6-60-5.3000113.1T117N115-T117 PolarHBondContact O-N 2.88Å
116L94.7Very high92.5Very high31 Ų3156.6 Ų56.616%0.16232%0.315CS..EExtended strand (participates in β ladder)trans-63.7117.6171.6-86.472.9000109.2P113 T114 Y129 W130 L177 V179 S197 E198 V200P113-L116 HydrophobicContact CB-CD1 4.34Å; T114-L116 VanDerWaalsContact C-N 3.29Å; T114-L116 PolarHBondContact O-N 3.44Å; L116-Y129 CarbonylContact C-O 3.56Å; L116-Y129 WeakPolarHBondContact CA-O 3.26Å; L116-W130 HydrophobicContact CD1-CB 3.83Å; L116-W130 HydrophobicContact CG-CB 4.01Å; L116-L177 HydrophobicContact CD2-CD2 4.13Å; L116-V179 HydrophobicContact CD1-CG2 4.38Å; L116-V179 HydrophobicContact CD2-CB 4.47Å; L116-V179 HydrophobicContact CD2-CG2 3.73Å; L116-V179 HydrophobicContact CG-CG2 4.07Å; L116-S197 WeakPolarHBondContact CD2-OG 3.32Å; L116-E198 WeakPolarHBondContact CD2-O 3.46Å; L116-V200 HydrophobicContact CB-CB 4.05Å; L116-V200 HydrophobicContact CB-CG1 4.05Å; L116-V200 HydrophobicContact CD2-CG1 4.05Å
117T95.1Very high92.5Very high67 Ų6757.6 Ų57.641%0.41132%0.315SS..EExtended strand (participates in β ladder)trans-125.4153.1178.354.10000109.8N115 F128 Y129N115-T117 PolarHBondContact O-N 2.88Å; T117-F128 CarbonylContact O-C 3.58Å; T117-F128 WeakPolarHBondContact O-CA 3.11Å; T117-Y129 PolarHBondContact N-O 2.92Å; T117-Y129 PolarHBondContact O-N 3.04Å
118V94Very high92.4Very high38 Ų3854.7 Ų54.723%0.2330%0.302CS..EExtended strand (participates in β ladder)trans-127135.7179.163.20000109.4L126 W127 F128 V200 W202V118-L126 HydrophobicContact CG2-CD1 3.4Å; V118-L126 HydrophobicContact CG2-CD2 4.21Å; V118-L126 HydrophobicContact CG2-CG 3.7Å; V118-W127 CarbonylContact C-O 3.55Å; V118-W127 WeakPolarHBondContact CA-O 3.41Å; V118-F128 HydrophobicContact CB-CD1 3.88Å; V118-F128 HydrophobicContact CB-CE1 3.96Å; V118-F128 HydrophobicContact CG2-CD1 3.76Å; V118-F128 HydrophobicContact CG2-CE1 3.55Å; V118-F128 HydrophobicContact CG2-CG 4.39Å; V118-F128 HydrophobicContact CG2-CZ 4.01Å; V118-V200 HydrophobicContact CB-CG2 3.89Å; V118-V200 HydrophobicContact CG1-CG2 3.66Å; V118-W202 HydrophobicContact CG1-CB 4.11Å; V118-W202 HydrophobicContact CG2-CB 3.97Å; V118-W202 HydrophobicContact CG2-CG 4.13Å
119K92Very high92.3Very high130 Ų13058.7 Ų58.757%0.56532%0.318SS*.EExtended strand (participates in β ladder)trans-132.9127.7178.1-64.8-176.2178.8-179.80109.1W127 Y129K119-W127 PolarHBondContact N-O 2.86Å; K119-W127 PolarHBondContact O-N 3.02Å; K119-Y129 HydrophobicContact CB-CE2 4.35Å; K119-Y129 HydrophobicContact CD-CD2 4.46Å; K119-Y129 HydrophobicContact CD-CE2 4.09Å; K119-Y129 HydrophobicContact CG-CE2 4.38Å
120N88.9Confident92.2Very high95 Ų9556.1 Ų56.151%0.50831%0.307SS..EExtended strand (participates in β ladder)trans-81.3114.4162.8-173.721.3000106.8L126 W202N120-L126 HydrophobicContact CB-CD1 4.5Å; N120-W202 HydrophobicContact CB-CZ2 4.47Å
121A82.3Confident92.1Very high34 Ų3459.8 Ų59.828%0.28133%0.326SS..  trans-95.8170.2-17600000111.7D123 L124 N125A121-D123 VanDerWaalsContact CB-OD1 3.26Å; A121-D123 WeakPolarHBondContact CB-OD1 3.38Å; A121-D123 PolarHBondContact O-N 3.41Å; A121-L124 PolarHBondContact O-N 2.87Å; A121-L124 VanDerWaalsContact O-N 3.11Å; A121-N125 PolarHBondContact N-O 2.89Å; A121-N125 VanDerWaalsContact N-O 3.13Å
122S80.9Confident91.8Very high132 Ų13257.8 Ų57.892%0.92332%0.315SS*.THydrogen-bonded Turntrans-65.9-14.3-177.852.20000114L124S122-L124 PolarHBondContact O-N 2.94Å
123D86.1Confident91.5Very high67 Ų6758.2 Ų58.236%0.35832%0.317SS..THydrogen-bonded Turntrans-81.17.2173.867.7-14.5000113.3A121 N125 W127A121-D123 VanDerWaalsContact CB-OD1 3.26Å; A121-D123 WeakPolarHBondContact CB-OD1 3.38Å; A121-D123 PolarHBondContact O-N 3.41Å; D123-N125 PolarHBondContact O-N 3.08Å; D123-N125 PolarHBondContact O-ND2 2.77Å; D123-N125 WeakPolarHBondContact OD1-CB 3.39Å; D123-N125 PolarHBondContact OD1-N 3.08Å; D123-N125 WeakPolarHBondContact OD2-CB 3.47Å; D123-N125 PolarHBondContact OD2-ND2 2.93Å; D123-W127 PolarHBondContact OD1-NE1 2.69Å; D123-W127 PolarHBondContact OD2-NE1 2.69Å
124L84.6Confident91.1Very high121 Ų12159.2 Ų59.263%0.63432%0.324SS*.SBendtrans60.915.7-174.1-53.8174.1000114A121 S122 P169A121-L124 PolarHBondContact O-N 2.87Å; A121-L124 VanDerWaalsContact O-N 3.11Å; S122-L124 PolarHBondContact O-N 2.94Å; L124-P169 WeakPolarHBondContact O-CD 2.97Å
125N91.9Very high90.6Very high29 Ų2962.9 Ų62.916%0.15534%0.34CS..  trans-101.4153.6177.1-58.3-50.8000111.6A121 D123 C165 S167 L168A121-N125 PolarHBondContact N-O 2.89Å; A121-N125 VanDerWaalsContact N-O 3.13Å; D123-N125 PolarHBondContact O-N 3.08Å; D123-N125 PolarHBondContact O-ND2 2.77Å; D123-N125 WeakPolarHBondContact OD1-CB 3.39Å; D123-N125 PolarHBondContact OD1-N 3.08Å; D123-N125 WeakPolarHBondContact OD2-CB 3.47Å; D123-N125 PolarHBondContact OD2-ND2 2.93Å; N125-C165 VanDerWaalsContact CB-SG 3.58Å; N125-S167 VanDerWaalsContact OD1-CA 3.23Å; N125-S167 WeakPolarHBondContact OD1-CA 3.47Å; N125-L168 PolarHBondContact OD1-N 3.4Å
126L92.1Very high90.1Very high0 Ų060.3 Ų60.30%033%0.326CS..EExtended strand (participates in β ladder)trans-96.2107.8178.5-167.464.4000110V118 N120 F128 H166 P169 Y175 W202V118-L126 HydrophobicContact CG2-CD1 3.4Å; V118-L126 HydrophobicContact CG2-CD2 4.21Å; V118-L126 HydrophobicContact CG2-CG 3.7Å; N120-L126 HydrophobicContact CB-CD1 4.5Å; L126-F128 HydrophobicContact CB-CE2 4.32Å; L126-F128 HydrophobicContact CD2-CE1 4.42Å; L126-F128 HydrophobicContact CD2-CE2 3.69Å; L126-F128 HydrophobicContact CD2-CZ 3.45Å; L126-F128 VanDerWaalsContact CD2-CZ 3.45Å; L126-F128 HydrophobicContact CG-CD2 4.49Å; L126-F128 HydrophobicContact CG-CE2 3.74Å; L126-F128 HydrophobicContact CG-CZ 3.85Å; L126-H166 HydrophobicContact CB-CB 4.28Å; L126-H166 PolarHBondContact N-O 2.85Å; L126-H166 PolarHBondContact O-N 2.93Å; L126-P169 HydrophobicContact CB-CB 4.11Å; L126-P169 HydrophobicContact CB-CG 4.07Å; L126-P169 HydrophobicContact CD2-CB 4.39Å; L126-Y175 HydrophobicContact CD2-CG 4.43Å; L126-W202 HydrophobicContact CD1-CB 4.43Å; L126-W202 HydrophobicContact CD1-CD2 3.55Å; L126-W202 HydrophobicContact CD1-CE3 4.2Å; L126-W202 HydrophobicContact CD1-CG 3.66Å; L126-W202 HydrophobicContact CD1-CZ2 4.11Å; L126-W202 HydrophobicContact CD2-CB 4.11Å; L126-W202 HydrophobicContact CD2-CD2 3.68Å; L126-W202 HydrophobicContact CD2-CE3 3.57Å; L126-W202 HydrophobicContact CD2-CG 3.95Å; L126-W202 HydrophobicContact CD2-CZ3 4.22Å; L126-W202 HydrophobicContact CG-CD2 4.28Å; L126-W202 HydrophobicContact CG-CG 4.44Å
127W94.3Very high89.6Confident58 Ų5863.6 Ų63.622%0.2235%0.352CS..EExtended strand (participates in β ladder)trans-98.4122.4-178.4-70.585.2000111.2V118 K119 D123 Y129 H163 C165V118-W127 CarbonylContact C-O 3.55Å; V118-W127 WeakPolarHBondContact CA-O 3.41Å; K119-W127 PolarHBondContact N-O 2.86Å; K119-W127 PolarHBondContact O-N 3.02Å; D123-W127 PolarHBondContact OD1-NE1 2.69Å; D123-W127 PolarHBondContact OD2-NE1 2.69Å; W127-Y129 HydrophobicContact CB-CD2 4.43Å; W127-Y129 HydrophobicContact CB-CE2 3.51Å; W127-H163 AromaticContact CZ3-CD2 3.72Å; W127-C165 HydrophobicContact CD2-CB 3.99Å; W127-C165 HydrophobicContact CE3-CB 3.85Å; W127-C165 HydrophobicContact CH2-CB 3.83Å; W127-C165 HydrophobicContact CZ2-CB 3.97Å; W127-C165 HydrophobicContact CZ3-CB 3.77Å
128F95.2Very high89.3Confident1 Ų160.5 Ų60.50%0.00433%0.333CS..EExtended strand (participates in β ladder)trans-102.4135.6172.8-60.5-92.6000109.1T117 V118 L126 I145 H163 Y164 H166 L177 V200T117-F128 CarbonylContact O-C 3.58Å; T117-F128 WeakPolarHBondContact O-CA 3.11Å; V118-F128 HydrophobicContact CB-CD1 3.88Å; V118-F128 HydrophobicContact CB-CE1 3.96Å; V118-F128 HydrophobicContact CG2-CD1 3.76Å; V118-F128 HydrophobicContact CG2-CE1 3.55Å; V118-F128 HydrophobicContact CG2-CG 4.39Å; V118-F128 HydrophobicContact CG2-CZ 4.01Å; L126-F128 HydrophobicContact CB-CE2 4.32Å; L126-F128 HydrophobicContact CD2-CE1 4.42Å; L126-F128 HydrophobicContact CD2-CE2 3.69Å; L126-F128 HydrophobicContact CD2-CZ 3.45Å; L126-F128 VanDerWaalsContact CD2-CZ 3.45Å; L126-F128 HydrophobicContact CG-CD2 4.49Å; L126-F128 HydrophobicContact CG-CE2 3.74Å; L126-F128 HydrophobicContact CG-CZ 3.85Å; F128-I145 HydrophobicContact CE2-CD1 4.21Å; F128-I145 HydrophobicContact CZ-CD1 4.31Å; F128-H163 CarbonylContact O-C 3.57Å; F128-H163 WeakPolarHBondContact O-CA 3.43Å; F128-H163 WeakPolarHBondContact O-CB 3.41Å; F128-Y164 AromaticContact CD2-CD1 3.91Å; F128-Y164 HydrophobicContact CD2-CD1 3.91Å; F128-Y164 HydrophobicContact CE2-CD1 4.47Å; F128-Y164 PolarHBondContact N-O 2.72Å; F128-Y164 PolarHBondContact O-N 2.92Å; F128-H166 HydrophobicContact CE2-CB 4.11Å; F128-L177 HydrophobicContact CB-CD1 4.22Å; F128-L177 HydrophobicContact CB-CD2 4.27Å; F128-L177 HydrophobicContact CD1-CB 3.94Å; F128-L177 HydrophobicContact CD1-CD1 4.05Å; F128-L177 HydrophobicContact CD1-CD2 4.14Å; F128-L177 HydrophobicContact CD1-CG 4.27Å; F128-L177 HydrophobicContact CD2-CD1 3.79Å; F128-L177 HydrophobicContact CE1-CB 3.74Å; F128-L177 HydrophobicContact CE1-CD1 4.31Å; F128-L177 HydrophobicContact CE1-CG 4.49Å; F128-L177 HydrophobicContact CE2-CD1 4.06Å; F128-L177 HydrophobicContact CG-CD1 3.76Å; F128-L177 HydrophobicContact CG-CD2 4.28Å; F128-L177 HydrophobicContact CG-CG 4.41Å; F128-L177 HydrophobicContact CZ-CB 4.17Å; F128-L177 HydrophobicContact CZ-CD1 4.3Å; F128-V200 HydrophobicContact CD1-CG1 3.63Å; F128-V200 HydrophobicContact CE1-CG1 3.93Å
129Y95.6Very high89.3Confident84 Ų8458.8 Ų58.833%0.32932%0.323SS..EExtended strand (participates in β ladder)trans-129.1146.7178.1-57.2-89.5000110.1L116 T117 K119 W127 K162 H163L116-Y129 CarbonylContact C-O 3.56Å; L116-Y129 WeakPolarHBondContact CA-O 3.26Å; T117-Y129 PolarHBondContact N-O 2.92Å; T117-Y129 PolarHBondContact O-N 3.04Å; K119-Y129 HydrophobicContact CB-CE2 4.35Å; K119-Y129 HydrophobicContact CD-CD2 4.46Å; K119-Y129 HydrophobicContact CD-CE2 4.09Å; K119-Y129 HydrophobicContact CG-CE2 4.38Å; W127-Y129 HydrophobicContact CB-CD2 4.43Å; W127-Y129 HydrophobicContact CB-CE2 3.51Å; Y129-K162 WeakPolarHBondContact CA-O 3.41Å; Y129-H163 HydrophobicContact CD1-CB 3.59Å; Y129-H163 HydrophobicContact CE1-CB 3.8Å; Y129-H163 HydrophobicContact CG-CB 4.41Å
130W95.3Very high89.3Confident3 Ų354.1 Ų54.11%0.01130%0.303CS..EExtended strand (participates in β ladder)trans-146.4160.5176.360.290.5000111.9P113 L116 V143 V157 G161 K162 H163 V179P113-W130 HydrophobicContact CB-CB 4.28Å; P113-W130 HydrophobicContact CB-CG 4.22Å; L116-W130 HydrophobicContact CD1-CB 3.83Å; L116-W130 HydrophobicContact CG-CB 4.01Å; W130-V143 HydrophobicContact CH2-CG1 3.82Å; W130-V143 HydrophobicContact CZ3-CG1 3.99Å; W130-V157 HydrophobicContact CH2-CB 4.49Å; W130-V157 HydrophobicContact CH2-CG1 3.97Å; W130-V157 HydrophobicContact CH2-CG2 3.74Å; W130-V157 HydrophobicContact CZ2-CB 4.46Å; W130-V157 HydrophobicContact CZ2-CG1 4.02Å; W130-V157 HydrophobicContact CZ2-CG2 3.95Å; W130-G161 VanDerWaalsContact CZ2-O 3.31Å; W130-G161 WeakPolarHBondContact CZ2-O 3.06Å; W130-K162 PolarHBondContact N-O 2.86Å; W130-K162 WeakPolarHBondContact O-CB 3.42Å; W130-H163 VanDerWaalsContact CH2-O 3.28Å; W130-H163 WeakPolarHBondContact CH2-O 3.48Å; W130-H163 VanDerWaalsContact CZ3-CA 3.47Å; W130-V179 HydrophobicContact CB-CG2 4.43Å; W130-V179 HydrophobicContact CD2-CB 4.4Å; W130-V179 HydrophobicContact CD2-CG1 3.96Å; W130-V179 HydrophobicContact CD2-CG2 3.7Å; W130-V179 HydrophobicContact CE3-CG2 3.62Å; W130-V179 HydrophobicContact CG-CG1 4.26Å; W130-V179 HydrophobicContact CG-CG2 4.07Å; W130-V179 HydrophobicContact CZ2-CG1 4.06Å; W130-V179 HydrophobicContact CZ3-CG2 4.1Å
131N93.7Very high89.6Confident82 Ų8249.7 Ų49.744%0.43928%0.28SS..EExtended strand (participates in β ladder)trans-104.7134.6169.9-72.2-18.2000110.1P113 T114P113-N131 CarbonylContact C-O 3.58Å; P113-N131 WeakPolarHBondContact CA-O 3.13Å; T114-N131 PolarHBondContact N-O 2.71Å; T114-N131 PolarHBondContact O-N 2.89Å
132N91.6Very high90.3Very high18 Ų1851.4 Ų51.410%0.09628%0.279CS..  trans-78.2141.1166.3-64.2-26.7000108.7V134 V139N132-V134 WeakPolarHBondContact CB-O 3.34Å; N132-V134 PolarHBondContact O-N 2.83Å; N132-V139 WeakPolarHBondContact ND2-CG1 3.3Å
133T88.6Confident91Very high49 Ų4945.1 Ų45.130%0.30124%0.235SC..SBendtrans-63.8-25.8176.750.10000113N29 N111 P112 T114N29-T133 PolarHBondContact OD1-OG1 3.31Å; N111-T133 HydrophobicContact CB-CG2 3.8Å; P112-T133 WeakPolarHBondContact O-CG2 3.44Å; T114-T133 HydrophobicContact CG2-CG2 4.07Å
134V87.9Confident91.6Very high27 Ų2744.6 Ų44.616%0.16423%0.228CC..SBendtrans-114.1130.1172.3-166.50000109.8N29 L30 L110 N132 L136N29-V134 VanDerWaalsContact O-CG2 3.28Å; N29-V134 WeakPolarHBondContact O-CG2 3.45Å; L30-V134 HydrophobicContact CD1-CG1 4.13Å; L110-V134 HydrophobicContact CD2-CG2 4.1Å; N132-V134 WeakPolarHBondContact CB-O 3.34Å; N132-V134 PolarHBondContact O-N 2.83Å; V134-L136 VanDerWaalsContact C-N 3.29Å; V134-L136 HydrophobicContact CG1-CB 4.49Å; V134-L136 HydrophobicContact CG1-CD1 3.77Å; V134-L136 HydrophobicContact CG1-CG 3.84Å; V134-L136 PolarHBondContact O-N 3.28Å
135N83.6Confident92.1Very high140 Ų14039.1 Ų39.175%0.74920%0.199SC*.  trans-83.969.8177.6-164.629.7000111.9K162N135-K162 PolarHBondContact OD1-NZ 2.02Å
136L83.9Confident92.2Very high60 Ų6040.8 Ų40.831%0.31420%0.203SC..  trans-115.7141.3174.7-78.5170.2000110.9L30 V134 C138 V139 L183L30-L136 HydrophobicContact CD1-CD1 3.48Å; L30-L136 VanDerWaalsContact CD1-CD1 3.48Å; V134-L136 VanDerWaalsContact C-N 3.29Å; V134-L136 HydrophobicContact CG1-CB 4.49Å; V134-L136 HydrophobicContact CG1-CD1 3.77Å; V134-L136 HydrophobicContact CG1-CG 3.84Å; V134-L136 PolarHBondContact O-N 3.28Å; L136-C138 VanDerWaalsContact C-N 3.27Å; L136-C138 PolarHBondContact O-N 3.31Å; L136-V139 HydrophobicContact CB-CG2 3.94Å; L136-L183 HydrophobicContact CD1-CD2 3.98Å
137S84.2Confident92.2Very high101 Ų10144.7 Ų44.771%0.70622%0.22SC*.THydrogen-bonded Turntrans-72.3-20.5175.752.80000113.4V139S137-V139 VanDerWaalsContact C-N 3.33Å; S137-V139 PolarHBondContact O-N 2.94Å
138C89.1Confident92Very high2 Ų245.4 Ų45.41%0.01423%0.228CC..THydrogen-bonded Turntrans-94.636.4178.857.20000113L136 D184 C187L136-C138 VanDerWaalsContact C-N 3.27Å; L136-C138 PolarHBondContact O-N 3.31Å; C138-D184 HydrophobicContact CB-CB 4.49Å; C138-D184 WeakPolarHBondContact O-CB 3.39Å; C138-D184 PolarHBondContact O-N 2.78Å; C138-C187 HydrophobicContact CB-CB 3.6Å; C138-C187 WeakPolarHBondContact CB-SG 3.37Å; C138-C187 WeakPolarHBondContact SG-CB 3.49Å; C138-C187 CovalentContact SG-SG 2.01Å; C138-C187 PolarHBondContact SG-SG 2.58Å
139V92.8Very high91.6Very high1 Ų152.1 Ų52.11%0.00626%0.264CS..EExtended strand (participates in β ladder)trans-101.9118.7169.5-179.10000108.1L110 N132 L136 S137 G160 R182 L183L110-V139 HydrophobicContact CD1-CG1 4.27Å; L110-V139 HydrophobicContact CD1-CG2 4.42Å; N132-V139 WeakPolarHBondContact ND2-CG1 3.3Å; L136-V139 HydrophobicContact CB-CG2 3.94Å; S137-V139 VanDerWaalsContact C-N 3.33Å; S137-V139 PolarHBondContact O-N 2.94Å; V139-G160 PolarHBondContact O-N 3.45Å; V139-G160 VanDerWaalsContact O-N 3.1Å; V139-R182 WeakPolarHBondContact CA-O 3.39Å; V139-L183 HydrophobicContact CG2-CD2 4.31Å
140E93.5Very high91.4Very high33 Ų3353.1 Ų53.115%0.15428%0.275CS..EExtended strand (participates in β ladder)trans-87.7150.8165.662.5158.9161.700110.1S181 R182 D184 W193E140-S181 VanDerWaalsContact O-CA 3.3Å; E140-S181 WeakPolarHBondContact O-CA 3.39Å; E140-R182 HydrophobicContact CG-CB 4.04Å; E140-R182 PolarHBondContact N-O 2.82Å; E140-R182 PolarHBondContact O-N 3.48Å; E140-R182 IonicContact OE1-CZ 3.77Å; E140-R182 IonicContact OE1-NE 2.74Å; E140-R182 PolarHBondContact OE1-NE 3.42Å; E140-R182 IonicContact OE1-NH2 2.8Å; E140-R182 PolarHBondContact OE1-NH2 2.9Å; E140-D184 HydrophobicContact CB-CB 4.44Å; E140-D184 HydrophobicContact CG-CB 4.47Å; E140-W193 HydrophobicContact CG-CH2 3.82Å; E140-W193 HydrophobicContact CG-CZ3 4.45Å; E140-W193 WeakPolarHBondContact OE1-CH2 3.41Å; E140-W193 WeakPolarHBondContact OE1-CZ2 3.27Å; E140-W193 WeakPolarHBondContact OE2-CH2 3.36Å
141S95Very high91.4Very high2 Ų260.3 Ų60.31%0.01431%0.314CS..EExtended strand (participates in β ladder)trans-129.6144.4179.2-65.90000110.7V157 K180S141-V157 WeakPolarHBondContact O-CB 3.44Å; S141-V157 WeakPolarHBondContact O-CG2 3.45Å; S141-V157 PolarHBondContact O-N 3.39Å; S141-V157 VanDerWaalsContact O-N 3.1Å; S141-K180 WeakPolarHBondContact CA-O 3.31Å
142R96.1Very high91.5Very high70 Ų7060.4 Ų60.426%0.26431%0.308SS..EExtended strand (participates in β ladder)trans-120.1133.6166.2-70-179.6-168.7-1749.4108.5T154 L155 V179 K180 W193R142-T154 HydrophobicContact CB-CG2 4.49Å; R142-L155 WeakPolarHBondContact CA-O 3.49Å; R142-V179 WeakPolarHBondContact O-CA 3.08Å; R142-K180 HydrophobicContact CB-CG 4.38Å; R142-K180 PolarHBondContact N-O 2.86Å; R142-K180 PolarHBondContact O-N 2.86Å; R142-W193 HydrophobicContact CB-CH2 4.39Å; R142-W193 HydrophobicContact CB-CZ3 4.14Å; R142-W193 HydrophobicContact CG-CH2 3.58Å; R142-W193 HydrophobicContact CG-CZ2 4.26Å; R142-W193 HydrophobicContact CG-CZ3 3.83Å; R142-W193 VanDerWaalsContact CZ-CZ2 3.41Å; R142-W193 VanDerWaalsContact NE-CH2 3.32Å
143V97.1Very high91.7Very high0 Ų064.6 Ų64.60%033%0.327CS..EExtended strand (participates in β ladder)trans-97.9147.5169.4-57.30000108.9W130 T154 L155 V157 Y164 L177 Q178 V179W130-V143 HydrophobicContact CH2-CG1 3.82Å; W130-V143 HydrophobicContact CZ3-CG1 3.99Å; V143-T154 CarbonylContact O-C 3.33Å; V143-T154 WeakPolarHBondContact O-CA 3.43Å; V143-L155 HydrophobicContact CG2-CB 3.79Å; V143-L155 HydrophobicContact CG2-CD1 4.48Å; V143-L155 PolarHBondContact N-O 2.85Å; V143-L155 PolarHBondContact O-N 3.23Å; V143-V157 HydrophobicContact CG1-CG2 3.71Å; V143-Y164 HydrophobicContact CG1-CG 4.39Å; V143-Y164 HydrophobicContact CG2-CD1 4.22Å; V143-Y164 HydrophobicContact CG2-CD2 4.08Å; V143-Y164 HydrophobicContact CG2-CE1 4.5Å; V143-Y164 HydrophobicContact CG2-CE2 4.39Å; V143-Y164 HydrophobicContact CG2-CG 4.01Å; V143-L177 HydrophobicContact CB-CD1 4.09Å; V143-L177 HydrophobicContact CB-CG 4.34Å; V143-L177 HydrophobicContact CG1-CD1 4.36Å; V143-L177 HydrophobicContact CG1-CD2 4.43Å; V143-L177 HydrophobicContact CG2-CD1 4.46Å; V143-Q178 CarbonylContact C-O 3.56Å; V143-Q178 WeakPolarHBondContact CA-O 3.43Å; V143-V179 HydrophobicContact CG1-CG1 4.38Å; V143-V179 HydrophobicContact CG1-CG2 4.1Å
144R96.8Very high92.1Very high55 Ų5566 Ų6621%0.20834%0.336CS..EExtended strand (participates in β ladder)trans-116.6136.3156.366.3176.7-177.9-166.5-2.7109.1W152 E153 L177 Q178 W196R144-W152 HydrophobicContact CB-CE3 3.86Å; R144-W152 HydrophobicContact CB-CZ3 4.47Å; R144-W152 HydrophobicContact CG-CD2 4.12Å; R144-W152 HydrophobicContact CG-CE3 3.5Å; R144-W152 VanDerWaalsContact CG-CE3 3.5Å; R144-W152 HydrophobicContact CG-CZ3 3.77Å; R144-E153 CarbonylContact C-O 3.56Å; R144-E153 WeakPolarHBondContact CA-O 3.34Å; R144-L177 VanDerWaalsContact O-CA 3.31Å; R144-L177 WeakPolarHBondContact O-CA 3.48Å; R144-Q178 HydrophobicContact CG-CB 3.98Å; R144-Q178 PolarHBondContact N-O 2.95Å; R144-Q178 PolarHBondContact O-N 2.8Å; R144-W196 HydrophobicContact CB-CH2 3.68Å; R144-W196 HydrophobicContact CB-CZ2 4.3Å; R144-W196 HydrophobicContact CB-CZ3 3.85Å; R144-W196 HydrophobicContact CG-CD2 4.2Å; R144-W196 HydrophobicContact CG-CE3 3.79Å; R144-W196 HydrophobicContact CG-CH2 3.71Å; R144-W196 HydrophobicContact CG-CZ2 4.13Å; R144-W196 HydrophobicContact CG-CZ3 3.53Å
145I95.3Very high92.4Very high6 Ų666.9 Ų66.93%0.03134%0.339CS..EExtended strand (participates in β ladder)trans-126.5142.6177.5-167.1168.5000109.3F128 E153 L155 Y164 H166 Y175 E176 L177F128-I145 HydrophobicContact CE2-CD1 4.21Å; F128-I145 HydrophobicContact CZ-CD1 4.31Å; I145-E153 HydrophobicContact CG2-CB 4.28Å; I145-E153 PolarHBondContact N-O 3.33Å; I145-E153 PolarHBondContact O-N 2.87Å; I145-L155 HydrophobicContact CG2-CD1 4.44Å; I145-Y164 HydrophobicContact CD1-CE1 4.26Å; I145-H166 HydrophobicContact CD1-CB 4.4Å; I145-Y175 HydrophobicContact CD1-CD1 3.94Å; I145-Y175 HydrophobicContact CG1-CD1 4.4Å; I145-E176 CarbonylContact C-O 3.56Å; I145-E176 WeakPolarHBondContact CA-O 3.43Å; I145-L177 HydrophobicContact CB-CD1 4.34Å; I145-L177 HydrophobicContact CD1-CD1 4.28Å; I145-L177 HydrophobicContact CG1-CB 4.39Å; I145-L177 HydrophobicContact CG1-CD1 4.5Å
146R94.1Very high92.8Very high65 Ų6568.5 Ų68.525%0.24534%0.34CS..EExtended strand (participates in β ladder)trans-125.5147.4166.362.2174.7170.6170.4-2.1110.2W152 Y175 E176R146-W152 HydrophobicContact CB-CD2 4.07Å; R146-W152 HydrophobicContact CB-CE3 3.88Å; R146-W152 HydrophobicContact CB-CZ3 4.22Å; R146-W152 HydrophobicContact CG-CD2 4.14Å; R146-W152 HydrophobicContact CG-CE3 3.9Å; R146-W152 HydrophobicContact CG-CH2 3.85Å; R146-W152 HydrophobicContact CG-CZ2 4.06Å; R146-W152 HydrophobicContact CG-CZ3 3.76Å; R146-W152 VanDerWaalsContact NE-CZ2 3.31Å; R146-Y175 WeakPolarHBondContact O-CA 3.23Å; R146-E176 HydrophobicContact CG-CB 3.88Å; R146-E176 IonicContact CZ-OE1 3.36Å; R146-E176 IonicContact CZ-OE2 3.42Å; R146-E176 PolarHBondContact N-O 3.44Å; R146-E176 IonicContact NE-OE1 3.01Å; R146-E176 PolarHBondContact NE-OE1 2.82Å; R146-E176 IonicContact NE-OE2 3.69Å; R146-E176 IonicContact NH2-OE1 3.64Å; R146-E176 PolarHBondContact NH2-OE1 2.93Å; R146-E176 IonicContact NH2-OE2 2.74Å; R146-E176 PolarHBondContact NH2-OE2 2.86Å; R146-E176 PolarHBondContact O-N 3.32Å
147K92.8Very high93.2Very high82 Ų8266.7 Ų66.736%0.35733%0.331SS..EExtended strand (participates in β ladder)trans-109.5117173.5-174.3-175.2-179.1-177.60108.1N150 A173 R174 Y175K147-N150 WeakPolarHBondContact O-CB 3.4Å; K147-N150 PolarHBondContact O-N 3.1Å; K147-N150 PolarHBondContact O-ND2 3.02Å; K147-A173 HydrophobicContact CD-CB 4.18Å; K147-A173 HydrophobicContact CG-CB 3.82Å; K147-R174 CarbonylContact C-O 3.53Å; K147-R174 WeakPolarHBondContact CA-O 3.22Å; K147-Y175 HydrophobicContact CB-CD1 4.41Å; K147-Y175 HydrophobicContact CB-CE1 4.21Å; K147-Y175 HydrophobicContact CD-CE1 4.24Å; K147-Y175 HydrophobicContact CG-CD1 4.48Å; K147-Y175 HydrophobicContact CG-CE1 4.02Å
148N89.4Confident93.2Very high72 Ų7265.6 Ų65.639%0.38532%0.324SS..THydrogen-bonded Turntrans50.2-142.1-167.1-53.3-24.4000110N150 A173 R174N148-N150 PolarHBondContact O-N 3.31Å; N148-A173 WeakPolarHBondContact OD1-CA 3.48Å; N148-R174 PolarHBondContact N-O 2.92Å; N148-R174 PolarHBondContact OD1-N 2.9Å
149D86.8Confident92.8Very high142 Ų14270.7 Ų70.776%0.75934%0.343SS*.THydrogen-bonded Turntrans-85.621178.4-56.2-64.8000113.9
150N91.8Very high92.1Very high106 Ų10672.1 Ų72.157%0.56736%0.357SS*.SBendtrans-69164.8173.8-67.3-10.4000111.7K147 N148K147-N150 WeakPolarHBondContact O-CB 3.4Å; K147-N150 PolarHBondContact O-N 3.1Å; K147-N150 PolarHBondContact O-ND2 3.02Å; N148-N150 PolarHBondContact O-N 3.31Å
151N94.9Very high91.7Very high154 Ų15470.9 Ų70.982%0.82435%0.354SS*.PPolyproline II helixtrans-57.1149.2171.8-69-34.1000112.1E153N151-E153 PolarHBondContact O-N 3.31Å
152W96.3Very high91.6Very high83 Ų8374.4 Ų74.431%0.31437%0.369SS..PPolyproline II helixtrans-69.1123.4175.2-68.599.3000111.8R144 R146 E176 Q178R144-W152 HydrophobicContact CB-CE3 3.86Å; R144-W152 HydrophobicContact CB-CZ3 4.47Å; R144-W152 HydrophobicContact CG-CD2 4.12Å; R144-W152 HydrophobicContact CG-CE3 3.5Å; R144-W152 VanDerWaalsContact CG-CE3 3.5Å; R144-W152 HydrophobicContact CG-CZ3 3.77Å; R146-W152 HydrophobicContact CB-CD2 4.07Å; R146-W152 HydrophobicContact CB-CE3 3.88Å; R146-W152 HydrophobicContact CB-CZ3 4.22Å; R146-W152 HydrophobicContact CG-CD2 4.14Å; R146-W152 HydrophobicContact CG-CE3 3.9Å; R146-W152 HydrophobicContact CG-CH2 3.85Å; R146-W152 HydrophobicContact CG-CZ2 4.06Å; R146-W152 HydrophobicContact CG-CZ3 3.76Å; R146-W152 VanDerWaalsContact NE-CZ2 3.31Å; W152-E176 HydrophobicContact CH2-CB 4.42Å; W152-E176 HydrophobicContact CH2-CG 4.01Å; W152-E176 WeakPolarHBondContact CH2-OE1 3.28Å; W152-E176 WeakPolarHBondContact CZ3-O 3.11Å; W152-Q178 HydrophobicContact CH2-CG 4.41Å
153E95.8Very high91.4Very high107 Ų10775 Ų7550%0.537%0.374SS..EExtended strand (participates in β ladder)trans-88.9132.7166-175.4175.1-172.400109R144 I145 N151 L155R144-E153 CarbonylContact C-O 3.56Å; R144-E153 WeakPolarHBondContact CA-O 3.34Å; I145-E153 HydrophobicContact CG2-CB 4.28Å; I145-E153 PolarHBondContact N-O 3.33Å; I145-E153 PolarHBondContact O-N 2.87Å; N151-E153 PolarHBondContact O-N 3.31Å; E153-L155 HydrophobicContact CG-CD2 4.12Å; E153-L155 HydrophobicContact CG-CG 4.25Å
154T96.4Very high91.3Very high79 Ų7977 Ų7749%0.48538%0.382SS..EExtended strand (participates in β ladder)trans-112.3124179-60.70000110.5R142 V143 W196R142-T154 HydrophobicContact CB-CG2 4.49Å; V143-T154 CarbonylContact O-C 3.33Å; V143-T154 WeakPolarHBondContact O-CA 3.43Å; T154-W196 HydrophobicContact CG2-CH2 4.34Å
155L94.9Very high91.1Very high44 Ų4476 Ų7623%0.2338%0.383CS..EExtended strand (participates in β ladder)trans-120.5147.1-175-58.2170.6000110.7R142 V143 I145 E153 Y164R142-L155 WeakPolarHBondContact CA-O 3.49Å; V143-L155 HydrophobicContact CG2-CB 3.79Å; V143-L155 HydrophobicContact CG2-CD1 4.48Å; V143-L155 PolarHBondContact N-O 2.85Å; V143-L155 PolarHBondContact O-N 3.23Å; I145-L155 HydrophobicContact CG2-CD1 4.44Å; E153-L155 HydrophobicContact CG-CD2 4.12Å; E153-L155 HydrophobicContact CG-CG 4.25Å; L155-Y164 HydrophobicContact CD1-CE1 4.49Å; L155-Y164 HydrophobicContact CD1-CE2 3.73Å; L155-Y164 WeakPolarHBondContact CD1-OH 2.96Å
156K92.4Very high91Very high174 Ų17478.2 Ų78.276%0.75739%0.393SS*.EExtended strand (participates in β ladder)trans-84.2135.9171.5-63.6-176.6-178.5-1780109.1
157V92Very high90.8Very high22 Ų2278.6 Ų78.613%0.13341%0.406CS..PPolyproline II helixtrans-91155.4169.6-169.70000108.5W130 S141 V143 H163W130-V157 HydrophobicContact CH2-CB 4.49Å; W130-V157 HydrophobicContact CH2-CG1 3.97Å; W130-V157 HydrophobicContact CH2-CG2 3.74Å; W130-V157 HydrophobicContact CZ2-CB 4.46Å; W130-V157 HydrophobicContact CZ2-CG1 4.02Å; W130-V157 HydrophobicContact CZ2-CG2 3.95Å; S141-V157 WeakPolarHBondContact O-CB 3.44Å; S141-V157 WeakPolarHBondContact O-CG2 3.45Å; S141-V157 PolarHBondContact O-N 3.39Å; S141-V157 VanDerWaalsContact O-N 3.1Å; V143-V157 HydrophobicContact CG1-CG2 3.71Å; V157-H163 WeakPolarHBondContact CG1-O 3.38Å
158S84.7Confident90.5Very high79 Ų7981.1 Ų81.155%0.55242%0.423SS*.PPolyproline II helixtrans-55.1145.8164.751.80000110.6G160 G161S158-G160 PolarHBondContact O-N 3.19Å; S158-G161 WeakPolarHBondContact O-CA 3.25Å; S158-G161 PolarHBondContact O-N 3.25Å
159R79.6Confident90.4Very high109 Ų10978.9 Ų78.941%0.41141%0.412SS..THydrogen-bonded Turntrans-59.3133.2-179.7177.4-174.8167.3147.516.2111.1G161 D184 N186R159-G161 PolarHBondContact O-N 2.98Å; R159-G161 VanDerWaalsContact O-N 3.13Å; R159-D184 IonicContact CZ-OD1 3.11Å; R159-D184 IonicContact CZ-OD2 2.72Å; R159-D184 IonicContact NE-OD1 3.15Å; R159-D184 IonicContact NE-OD2 2.75Å; R159-D184 IonicContact NH1-OD1 3.84Å; R159-D184 IonicContact NH1-OD2 3.73Å; R159-D184 PolarHBondContact NH1-OD2 3.45Å; R159-D184 IonicContact NH2-OD2 2.66Å; R159-D184 PolarHBondContact NH2-OD2 3.4Å; R159-N186 VanDerWaalsContact CZ-OD1 3.31Å; R159-N186 PolarHBondContact NH1-OD1 3.05Å; R159-N186 PolarHBondContact NH2-OD1 3.42Å
160G79.7Confident90.4Very high30 Ų3074 Ų7431%0.30939%0.389SS..THydrogen-bonded Turntrans69.2-2.4-173.600000114.4V139 S158 K162V139-G160 PolarHBondContact O-N 3.45Å; V139-G160 VanDerWaalsContact O-N 3.1Å; S158-G160 PolarHBondContact O-N 3.19Å; G160-K162 PolarHBondContact O-N 2.88Å
161G85.1Confident90Very high8 Ų873.8 Ų73.88%0.08240%0.396CS..  trans-63.4127.3175.800000111.3W130 S158 R159W130-G161 VanDerWaalsContact CZ2-O 3.31Å; W130-G161 WeakPolarHBondContact CZ2-O 3.06Å; S158-G161 WeakPolarHBondContact O-CA 3.25Å; S158-G161 PolarHBondContact O-N 3.25Å; R159-G161 PolarHBondContact O-N 2.98Å; R159-G161 VanDerWaalsContact O-N 3.13Å
162K91.2Very high89.6Confident75 Ų7571.3 Ų71.333%0.32639%0.386SS..  trans-10917.4177.7-67.6-179.5-175.2177.50112Y129 W130 N135 G160Y129-K162 WeakPolarHBondContact CA-O 3.41Å; W130-K162 PolarHBondContact N-O 2.86Å; W130-K162 WeakPolarHBondContact O-CB 3.42Å; N135-K162 PolarHBondContact OD1-NZ 2.02Å; G160-K162 PolarHBondContact O-N 2.88Å
163H93.1Very high89.3Confident83 Ų8367.4 Ų67.438%0.38437%0.372SS..EExtended strand (participates in β ladder)trans-149.2157.6-177.562.3-107.4000112.1W127 F128 Y129 W130 V157W127-H163 AromaticContact CZ3-CD2 3.72Å; F128-H163 CarbonylContact O-C 3.57Å; F128-H163 WeakPolarHBondContact O-CA 3.43Å; F128-H163 WeakPolarHBondContact O-CB 3.41Å; Y129-H163 HydrophobicContact CD1-CB 3.59Å; Y129-H163 HydrophobicContact CE1-CB 3.8Å; Y129-H163 HydrophobicContact CG-CB 4.41Å; W130-H163 VanDerWaalsContact CH2-O 3.28Å; W130-H163 WeakPolarHBondContact CH2-O 3.48Å; W130-H163 VanDerWaalsContact CZ3-CA 3.47Å; V157-H163 WeakPolarHBondContact CG1-O 3.38Å
164Y94.5Very high89.1Confident42 Ų4266.5 Ų66.517%0.16536%0.364CS..EExtended strand (participates in β ladder)trans-139.9136.5172.9170.2-105.9000109.2F128 V143 I145 L155 H166 L177F128-Y164 AromaticContact CD2-CD1 3.91Å; F128-Y164 HydrophobicContact CD2-CD1 3.91Å; F128-Y164 HydrophobicContact CE2-CD1 4.47Å; F128-Y164 PolarHBondContact N-O 2.72Å; F128-Y164 PolarHBondContact O-N 2.92Å; V143-Y164 HydrophobicContact CG1-CG 4.39Å; V143-Y164 HydrophobicContact CG2-CD1 4.22Å; V143-Y164 HydrophobicContact CG2-CD2 4.08Å; V143-Y164 HydrophobicContact CG2-CE1 4.5Å; V143-Y164 HydrophobicContact CG2-CE2 4.39Å; V143-Y164 HydrophobicContact CG2-CG 4.01Å; I145-Y164 HydrophobicContact CD1-CE1 4.26Å; L155-Y164 HydrophobicContact CD1-CE1 4.49Å; L155-Y164 HydrophobicContact CD1-CE2 3.73Å; L155-Y164 WeakPolarHBondContact CD1-OH 2.96Å; Y164-H166 HydrophobicContact CE1-CB 3.93Å; Y164-L177 HydrophobicContact CD1-CD1 3.54Å; Y164-L177 HydrophobicContact CE1-CD1 4.08Å; Y164-L177 HydrophobicContact CG-CD1 4.45Å
165C93.1Very high88.9Confident34 Ų3463 Ų6323%0.2334%0.342CS..EExtended strand (participates in β ladder)trans-107.8122.4178.5-178.60000109.3N125 W127N125-C165 VanDerWaalsContact CB-SG 3.58Å; W127-C165 HydrophobicContact CD2-CB 3.99Å; W127-C165 HydrophobicContact CE3-CB 3.85Å; W127-C165 HydrophobicContact CH2-CB 3.83Å; W127-C165 HydrophobicContact CZ2-CB 3.97Å; W127-C165 HydrophobicContact CZ3-CB 3.77Å
166H92.3Very high88.9Confident53 Ų5361.6 Ų61.625%0.24533%0.334CS..EExtended strand (participates in β ladder)trans-102.6107.1168.7-177.582.6000108.6L126 F128 I145 Y164 Y175L126-H166 HydrophobicContact CB-CB 4.28Å; L126-H166 PolarHBondContact N-O 2.85Å; L126-H166 PolarHBondContact O-N 2.93Å; F128-H166 HydrophobicContact CE2-CB 4.11Å; I145-H166 HydrophobicContact CD1-CB 4.4Å; Y164-H166 HydrophobicContact CE1-CB 3.93Å; H166-Y175 AromaticContact CD2-CE1 3.85Å; H166-Y175 AromaticContact NE2-CE1 3.87Å; H166-Y175 AromaticContact NE2-CZ 3.9Å; H166-Y175 PolarHBondContact NE2-OH 3.48Å
167S90.7Very high89.1Confident72 Ų7253.3 Ų53.350%0.50330%0.298SS..  trans-72.3145-177.1-53.70000112.8N125N125-S167 VanDerWaalsContact OD1-CA 3.23Å; N125-S167 WeakPolarHBondContact OD1-CA 3.47Å
168L85.6Confident89.4Confident136 Ų13653.4 Ų53.471%0.71230%0.297SS*.SBendtrans48.260.9173.8-58.5174.1000113.3N125N125-L168 PolarHBondContact OD1-N 3.4Å
169P87.9Confident90Very high25 Ų2549.7 Ų49.716%0.16227%0.271CS..  trans-63.4137.5178.831.8-36.4000110.8L124 L126 S171 Y175 W202L124-P169 WeakPolarHBondContact O-CD 2.97Å; L126-P169 HydrophobicContact CB-CB 4.11Å; L126-P169 HydrophobicContact CB-CG 4.07Å; L126-P169 HydrophobicContact CD2-CB 4.39Å; P169-S171 PolarHBondContact O-N 3.26Å; P169-Y175 HydrophobicContact CB-CE2 4.17Å; P169-W202 HydrophobicContact CB-CH2 3.85Å; P169-W202 HydrophobicContact CB-CZ3 3.74Å; P169-W202 HydrophobicContact CG-CH2 4Å; P169-W202 HydrophobicContact CG-CZ3 4.39Å
170S86.6Confident90.8Very high39 Ų3946.2 Ų46.227%0.27326%0.259SS..  trans-76.6120.5177.3178.20000110T172 A173 Y175S170-T172 PolarHBondContact O-N 3.35Å; S170-T172 VanDerWaalsContact O-N 3.16Å; S170-A173 PolarHBondContact O-N 2.93Å; S170-Y175 PolarHBondContact N-OH 2.79Å
171S83.1Confident91.5Very high102 Ų10244.8 Ų44.871%0.71324%0.244SC*.THydrogen-bonded Turntrans-60.8-23.3-175.954.70000114.9P169P169-S171 PolarHBondContact O-N 3.26Å
172T85.8Confident92Very high102 Ų10245.7 Ų45.763%0.62625%0.245SC*.THydrogen-bonded Turntrans-94.8-1.8178.454.90000113.6S170S170-T172 PolarHBondContact O-N 3.35Å; S170-T172 VanDerWaalsContact O-N 3.16Å
173A89.9Confident92.2Very high1 Ų142.1 Ų42.11%0.00823%0.23CC..  trans-104143.9-176.800000112K147 N148 S170 Y175K147-A173 HydrophobicContact CD-CB 4.18Å; K147-A173 HydrophobicContact CG-CB 3.82Å; N148-A173 WeakPolarHBondContact OD1-CA 3.48Å; S170-A173 PolarHBondContact O-N 2.93Å; A173-Y175 HydrophobicContact CB-CD2 4.33Å; A173-Y175 HydrophobicContact CB-CE2 3.75Å
174R91.8Very high92.2Very high88 Ų8839.2 Ų39.233%0.33222%0.217SC..  trans-88.9126168.1177.7174.4160.1144.2-6.2108.6K147 N148 E176 V201 W202 N205K147-R174 CarbonylContact C-O 3.53Å; K147-R174 WeakPolarHBondContact CA-O 3.22Å; N148-R174 PolarHBondContact N-O 2.92Å; N148-R174 PolarHBondContact OD1-N 2.9Å; R174-E176 IonicContact NH2-OE2 2.78Å; R174-E176 PolarHBondContact NH2-OE2 3.03Å; R174-V201 HydrophobicContact CG-CG1 3.82Å; R174-W202 CarbonylContact C-O 3.58Å; R174-W202 WeakPolarHBondContact CA-O 2.96Å; R174-N205 PolarHBondContact NH1-OD1 2.86Å
175Y93.3Very high92.1Very high4 Ų443.9 Ų43.92%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-107.5136.9173.3-68.9-95.8000108.9L126 I145 R146 K147 H166 P169 S170 A173 V201 W202L126-Y175 HydrophobicContact CD2-CG 4.43Å; I145-Y175 HydrophobicContact CD1-CD1 3.94Å; I145-Y175 HydrophobicContact CG1-CD1 4.4Å; R146-Y175 WeakPolarHBondContact O-CA 3.23Å; K147-Y175 HydrophobicContact CB-CD1 4.41Å; K147-Y175 HydrophobicContact CB-CE1 4.21Å; K147-Y175 HydrophobicContact CD-CE1 4.24Å; K147-Y175 HydrophobicContact CG-CD1 4.48Å; K147-Y175 HydrophobicContact CG-CE1 4.02Å; H166-Y175 AromaticContact CD2-CE1 3.85Å; H166-Y175 AromaticContact NE2-CE1 3.87Å; H166-Y175 AromaticContact NE2-CZ 3.9Å; H166-Y175 PolarHBondContact NE2-OH 3.48Å; P169-Y175 HydrophobicContact CB-CE2 4.17Å; S170-Y175 PolarHBondContact N-OH 2.79Å; A173-Y175 HydrophobicContact CB-CD2 4.33Å; A173-Y175 HydrophobicContact CB-CE2 3.75Å; Y175-V201 CarbonylContact O-C 3.42Å; Y175-V201 WeakPolarHBondContact O-CA 2.97Å; Y175-W202 AromaticContact CD2-CE3 3.78Å; Y175-W202 HydrophobicContact CD2-CE3 3.78Å; Y175-W202 AromaticContact CD2-CZ3 3.92Å; Y175-W202 HydrophobicContact CD2-CZ3 3.92Å; Y175-W202 HydrophobicContact CE2-CE3 4.45Å; Y175-W202 HydrophobicContact CE2-CZ3 4.13Å; Y175-W202 PolarHBondContact N-O 3.1Å; Y175-W202 PolarHBondContact O-N 3.35Å
176E95.1Very high91.9Very high15 Ų1547.7 Ų47.77%0.0726%0.258CS..EExtended strand (participates in β ladder)trans-131.9127.9174.8-173.1177.7124.200109I145 R146 W152 R174 V200 V201I145-E176 CarbonylContact C-O 3.56Å; I145-E176 WeakPolarHBondContact CA-O 3.43Å; R146-E176 HydrophobicContact CG-CB 3.88Å; R146-E176 IonicContact CZ-OE1 3.36Å; R146-E176 IonicContact CZ-OE2 3.42Å; R146-E176 PolarHBondContact N-O 3.44Å; R146-E176 IonicContact NE-OE1 3.01Å; R146-E176 PolarHBondContact NE-OE1 2.82Å; R146-E176 IonicContact NE-OE2 3.69Å; R146-E176 IonicContact NH2-OE1 3.64Å; R146-E176 PolarHBondContact NH2-OE1 2.93Å; R146-E176 IonicContact NH2-OE2 2.74Å; R146-E176 PolarHBondContact NH2-OE2 2.86Å; R146-E176 PolarHBondContact O-N 3.32Å; W152-E176 HydrophobicContact CH2-CB 4.42Å; W152-E176 HydrophobicContact CH2-CG 4.01Å; W152-E176 WeakPolarHBondContact CH2-OE1 3.28Å; W152-E176 WeakPolarHBondContact CZ3-O 3.11Å; R174-E176 IonicContact NH2-OE2 2.78Å; R174-E176 PolarHBondContact NH2-OE2 3.03Å; E176-V200 WeakPolarHBondContact CA-O 3.46Å; E176-V201 HydrophobicContact CB-CG2 4.26Å; E176-V201 HydrophobicContact CG-CG2 3.81Å
177L96.2Very high91.8Very high0 Ų046.6 Ų46.60%026%0.256CS..EExtended strand (participates in β ladder)trans-127140.5-175-177.6144.4000111.2L116 F128 V143 R144 I145 Y164 V179 S199 V200L116-L177 HydrophobicContact CD2-CD2 4.13Å; F128-L177 HydrophobicContact CB-CD1 4.22Å; F128-L177 HydrophobicContact CB-CD2 4.27Å; F128-L177 HydrophobicContact CD1-CB 3.94Å; F128-L177 HydrophobicContact CD1-CD1 4.05Å; F128-L177 HydrophobicContact CD1-CD2 4.14Å; F128-L177 HydrophobicContact CD1-CG 4.27Å; F128-L177 HydrophobicContact CD2-CD1 3.79Å; F128-L177 HydrophobicContact CE1-CB 3.74Å; F128-L177 HydrophobicContact CE1-CD1 4.31Å; F128-L177 HydrophobicContact CE1-CG 4.49Å; F128-L177 HydrophobicContact CE2-CD1 4.06Å; F128-L177 HydrophobicContact CG-CD1 3.76Å; F128-L177 HydrophobicContact CG-CD2 4.28Å; F128-L177 HydrophobicContact CG-CG 4.41Å; F128-L177 HydrophobicContact CZ-CB 4.17Å; F128-L177 HydrophobicContact CZ-CD1 4.3Å; V143-L177 HydrophobicContact CB-CD1 4.09Å; V143-L177 HydrophobicContact CB-CG 4.34Å; V143-L177 HydrophobicContact CG1-CD1 4.36Å; V143-L177 HydrophobicContact CG1-CD2 4.43Å; V143-L177 HydrophobicContact CG2-CD1 4.46Å; R144-L177 VanDerWaalsContact O-CA 3.31Å; R144-L177 WeakPolarHBondContact O-CA 3.48Å; I145-L177 HydrophobicContact CB-CD1 4.34Å; I145-L177 HydrophobicContact CD1-CD1 4.28Å; I145-L177 HydrophobicContact CG1-CB 4.39Å; I145-L177 HydrophobicContact CG1-CD1 4.5Å; Y164-L177 HydrophobicContact CD1-CD1 3.54Å; Y164-L177 HydrophobicContact CE1-CD1 4.08Å; Y164-L177 HydrophobicContact CG-CD1 4.45Å; L177-V179 HydrophobicContact CD2-CG2 3.74Å; L177-S199 WeakPolarHBondContact O-CA 3.11Å; L177-V200 HydrophobicContact CB-CG1 4.15Å; L177-V200 HydrophobicContact CD2-CG1 4.25Å; L177-V200 PolarHBondContact N-O 3.18Å; L177-V200 PolarHBondContact O-N 2.88Å
178Q97.3Very high91.8Very high25 Ų2543.5 Ų43.512%0.11724%0.236CC..EExtended strand (participates in β ladder)trans-131.4149.6170.3-70.5175-6700109.9V143 R144 W152 W196 S197V143-Q178 CarbonylContact C-O 3.56Å; V143-Q178 WeakPolarHBondContact CA-O 3.43Å; R144-Q178 HydrophobicContact CG-CB 3.98Å; R144-Q178 PolarHBondContact N-O 2.95Å; R144-Q178 PolarHBondContact O-N 2.8Å; W152-Q178 HydrophobicContact CH2-CG 4.41Å; Q178-W196 HydrophobicContact CB-CB 4.4Å; Q178-W196 HydrophobicContact CB-CE3 4.02Å; Q178-S197 WeakPolarHBondContact CG-O 3.46Å; Q178-S197 PolarHBondContact NE2-O 2.78Å
179V97.4Very high92.2Very high0 Ų041.5 Ų41.50%022%0.223CC..EExtended strand (participates in β ladder)trans-118.6146.3179.6-166.60000108.8P113 L116 W130 R142 V143 L177 S197P113-V179 HydrophobicContact CB-CB 4.28Å; P113-V179 HydrophobicContact CB-CG1 4.36Å; P113-V179 HydrophobicContact CG-CB 4.12Å; P113-V179 HydrophobicContact CG-CG1 3.88Å; L116-V179 HydrophobicContact CD1-CG2 4.38Å; L116-V179 HydrophobicContact CD2-CB 4.47Å; L116-V179 HydrophobicContact CD2-CG2 3.73Å; L116-V179 HydrophobicContact CG-CG2 4.07Å; W130-V179 HydrophobicContact CB-CG2 4.43Å; W130-V179 HydrophobicContact CD2-CB 4.4Å; W130-V179 HydrophobicContact CD2-CG1 3.96Å; W130-V179 HydrophobicContact CD2-CG2 3.7Å; W130-V179 HydrophobicContact CE3-CG2 3.62Å; W130-V179 HydrophobicContact CG-CG1 4.26Å; W130-V179 HydrophobicContact CG-CG2 4.07Å; W130-V179 HydrophobicContact CZ2-CG1 4.06Å; W130-V179 HydrophobicContact CZ3-CG2 4.1Å; R142-V179 WeakPolarHBondContact O-CA 3.08Å; V143-V179 HydrophobicContact CG1-CG1 4.38Å; V143-V179 HydrophobicContact CG1-CG2 4.1Å; L177-V179 HydrophobicContact CD2-CG2 3.74Å; V179-S197 PolarHBondContact N-OG 2.77Å; V179-S197 WeakPolarHBondContact O-CB 3.42Å; V179-S197 PolarHBondContact O-N 2.74Å; V179-S197 PolarHBondContact O-OG 2.83Å
180K96.6Very high92.6Very high36 Ų3640.3 Ų40.316%0.15722%0.215CC..EExtended strand (participates in β ladder)trans-135.3153.4162.466.8174.5-170.3165.50110.4S141 R142 W193 S194 W196S141-K180 WeakPolarHBondContact CA-O 3.31Å; R142-K180 HydrophobicContact CB-CG 4.38Å; R142-K180 PolarHBondContact N-O 2.86Å; R142-K180 PolarHBondContact O-N 2.86Å; K180-W193 HydrophobicContact CB-CE3 4.49Å; K180-W193 HydrophobicContact CD-CB 4.03Å; K180-W193 HydrophobicContact CD-CD2 4.24Å; K180-W193 HydrophobicContact CD-CE3 3.96Å; K180-W193 HydrophobicContact CD-CG 4.27Å; K180-W193 HydrophobicContact CG-CD2 4.48Å; K180-W193 HydrophobicContact CG-CE3 3.71Å; K180-W193 HydrophobicContact CG-CZ3 4.33Å; K180-S194 WeakPolarHBondContact CA-OG 3.21Å; K180-S194 WeakPolarHBondContact CB-OG 3.39Å; K180-W196 HydrophobicContact CB-CD2 4.17Å; K180-W196 HydrophobicContact CB-CE3 3.81Å; K180-W196 HydrophobicContact CB-CZ3 4.15Å; K180-W196 HydrophobicContact CD-CD2 3.91Å; K180-W196 HydrophobicContact CD-CE3 4.05Å; K180-W196 HydrophobicContact CD-CH2 3.86Å; K180-W196 HydrophobicContact CD-CZ2 3.69Å; K180-W196 HydrophobicContact CD-CZ3 4.02Å; K180-W196 HydrophobicContact CG-CD2 4.12Å; K180-W196 HydrophobicContact CG-CE3 3.74Å; K180-W196 HydrophobicContact CG-CH2 3.85Å; K180-W196 HydrophobicContact CG-CZ2 4.2Å; K180-W196 HydrophobicContact CG-CZ3 3.6Å
181S95.4Very high93Very high1 Ų143.3 Ų43.31%0.00723%0.225CC..EExtended strand (participates in β ladder)trans-125.2161-172.860.10000112.3E140 S194E140-S181 VanDerWaalsContact O-CA 3.3Å; E140-S181 WeakPolarHBondContact O-CA 3.39Å; S181-S194 PolarHBondContact N-OG 2.67Å; S181-S194 PolarHBondContact O-N 2.97Å
182R95.3Very high93.6Very high27 Ų2742.2 Ų42.210%0.10221%0.207CC..EExtended strand (participates in β ladder)trans-152.1156175.6-169.3167.774.3129.10.3109.8V139 E140 E189 S190 F192 W193V139-R182 WeakPolarHBondContact CA-O 3.39Å; E140-R182 HydrophobicContact CG-CB 4.04Å; E140-R182 PolarHBondContact N-O 2.82Å; E140-R182 PolarHBondContact O-N 3.48Å; E140-R182 IonicContact OE1-CZ 3.77Å; E140-R182 IonicContact OE1-NE 2.74Å; E140-R182 PolarHBondContact OE1-NE 3.42Å; E140-R182 IonicContact OE1-NH2 2.8Å; E140-R182 PolarHBondContact OE1-NH2 2.9Å; R182-E189 IonicContact CZ-OE1 3.54Å; R182-E189 IonicContact NH1-OE1 2.69Å; R182-E189 PolarHBondContact NH1-OE1 2.88Å; R182-E189 IonicContact NH2-OE1 3.29Å; R182-E189 PolarHBondContact NH2-OE1 2.97Å; R182-S190 WeakPolarHBondContact CD-O 3.44Å; R182-S190 PolarHBondContact NH1-O 3.07Å; R182-F192 WeakPolarHBondContact CG-O 3.17Å; R182-W193 HydrophobicContact CB-CD2 3.9Å; R182-W193 HydrophobicContact CB-CE3 3.73Å; R182-W193 HydrophobicContact CB-CH2 3.96Å; R182-W193 HydrophobicContact CB-CZ2 4.1Å; R182-W193 HydrophobicContact CB-CZ3 3.78Å; R182-W193 HydrophobicContact CG-CD2 4.49Å; R182-W193 VanDerWaalsContact NE-CZ2 3.34Å
183L94.5Very high94.2Very high0 Ų039.3 Ų39.30%019%0.185CC..EExtended strand (participates in β ladder)trans-74.1129.3167.8-67.8-179.9000110.3L30 V108 L110 L136 V139 E189 S190L30-L183 HydrophobicContact CD1-CD1 4.14Å; L30-L183 HydrophobicContact CD1-CD2 4.35Å; L30-L183 HydrophobicContact CD2-CD1 4.23Å; V108-L183 HydrophobicContact CB-CD1 3.94Å; V108-L183 HydrophobicContact CG1-CD1 3.81Å; V108-L183 HydrophobicContact CG2-CD1 3.98Å; L110-L183 HydrophobicContact CD1-CD2 4.14Å; L110-L183 HydrophobicContact CD1-CG 4.16Å; L110-L183 HydrophobicContact CD2-CD2 4.34Å; L110-L183 HydrophobicContact CD2-CG 4.23Å; L110-L183 HydrophobicContact CG-CG 4.35Å; L136-L183 HydrophobicContact CD1-CD2 3.98Å; V139-L183 HydrophobicContact CG2-CD2 4.31Å; L183-E189 WeakPolarHBondContact O-CA 3.4Å; L183-S190 PolarHBondContact O-N 3.1Å; L183-S190 VanDerWaalsContact O-N 3.1Å
184D93.3Very high94.5Very high21 Ų2139.5 Ų39.511%0.11219%0.186CC..  trans-82.1161.9177.8166.7104.1000112C138 E140 R159 N186 C187 G188C138-D184 HydrophobicContact CB-CB 4.49Å; C138-D184 WeakPolarHBondContact O-CB 3.39Å; C138-D184 PolarHBondContact O-N 2.78Å; E140-D184 HydrophobicContact CB-CB 4.44Å; E140-D184 HydrophobicContact CG-CB 4.47Å; R159-D184 IonicContact CZ-OD1 3.11Å; R159-D184 IonicContact CZ-OD2 2.72Å; R159-D184 IonicContact NE-OD1 3.15Å; R159-D184 IonicContact NE-OD2 2.75Å; R159-D184 IonicContact NH1-OD1 3.84Å; R159-D184 IonicContact NH1-OD2 3.73Å; R159-D184 PolarHBondContact NH1-OD2 3.45Å; R159-D184 IonicContact NH2-OD2 2.66Å; R159-D184 PolarHBondContact NH2-OD2 3.4Å; D184-N186 VanDerWaalsContact C-N 3.31Å; D184-N186 PolarHBondContact O-N 3.43Å; D184-N186 VanDerWaalsContact O-N 3.15Å; D184-N186 PolarHBondContact OD2-N 3.13Å; D184-N186 VanDerWaalsContact OD2-N 3.14Å; D184-N186 PolarHBondContact OD2-OD1 2.91Å; D184-C187 PolarHBondContact O-N 2.84Å; D184-G188 CarbonylContact O-C 3.56Å
185E92.1Very high94.8Very high140 Ų14039.7 Ų39.765%0.65419%0.194SC*.G310 helixtrans-47-41-175.865.9-175.3174.500115.3C187 G188E185-C187 PolarHBondContact O-N 2.88Å; E185-C187 VanDerWaalsContact O-N 3.09Å; E185-G188 PolarHBondContact O-N 3.22Å
186N89.6Confident95Very high114 Ų11442.8 Ų42.861%0.6121%0.206SC*.G310 helixtrans-67.8-15.2-177.1-58.844.4000113.3R159 D184R159-N186 VanDerWaalsContact CZ-OD1 3.31Å; R159-N186 PolarHBondContact NH1-OD1 3.05Å; R159-N186 PolarHBondContact NH2-OD1 3.42Å; D184-N186 VanDerWaalsContact C-N 3.31Å; D184-N186 PolarHBondContact O-N 3.43Å; D184-N186 VanDerWaalsContact O-N 3.15Å; D184-N186 PolarHBondContact OD2-N 3.13Å; D184-N186 VanDerWaalsContact OD2-N 3.14Å; D184-N186 PolarHBondContact OD2-OD1 2.91Å
187C90.4Very high95.1Very high30 Ų3042.2 Ų42.220%0.20320%0.204CC..G310 helixtrans-106.314.8174-79.80000112.5R83 C138 D184 E185R83-C187 PolarHBondContact NH1-O 2.77Å; R83-C187 PolarHBondContact NH2-O 2.74Å; C138-C187 HydrophobicContact CB-CB 3.6Å; C138-C187 WeakPolarHBondContact CB-SG 3.37Å; C138-C187 WeakPolarHBondContact SG-CB 3.49Å; C138-C187 CovalentContact SG-SG 2.01Å; C138-C187 PolarHBondContact SG-SG 2.58Å; D184-C187 PolarHBondContact O-N 2.84Å; E185-C187 PolarHBondContact O-N 2.88Å; E185-C187 VanDerWaalsContact O-N 3.09Å
188G91.1Very high95Very high8 Ų850.9 Ų50.98%0.08224%0.244CC..  trans73.7109.5-159.800000108.9R83 D184 E185 S190R83-G188 PolarHBondContact NH2-O 3.01Å; D184-G188 CarbonylContact O-C 3.56Å; E185-G188 PolarHBondContact O-N 3.22Å; G188-S190 PolarHBondContact O-N 3.29Å
189E93.7Very high94.9Very high93 Ų9352.3 Ų52.344%0.43526%0.257SS..  trans-56.9134.6174.5-169.1-170.7-17400109.4T106 R182 L183T106-E189 WeakPolarHBondContact CA-O 3.49Å; R182-E189 IonicContact CZ-OE1 3.54Å; R182-E189 IonicContact NH1-OE1 2.69Å; R182-E189 PolarHBondContact NH1-OE1 2.88Å; R182-E189 IonicContact NH2-OE1 3.29Å; R182-E189 PolarHBondContact NH2-OE1 2.97Å; L183-E189 WeakPolarHBondContact O-CA 3.4Å
190S95.6Very high94.8Very high1 Ų153.2 Ų53.21%0.00726%0.262CS..  trans-88.7146.1169.5-176.80000111.1T106 V108 R182 L183 G188 F192T106-S190 WeakPolarHBondContact O-CA 3.48Å; T106-S190 PolarHBondContact O-OG 3Å; V108-S190 PolarHBondContact N-OG 3.44Å; V108-S190 WeakPolarHBondContact O-CB 3.28Å; V108-S190 PolarHBondContact O-OG 3.44Å; R182-S190 WeakPolarHBondContact CD-O 3.44Å; R182-S190 PolarHBondContact NH1-O 3.07Å; L183-S190 PolarHBondContact O-N 3.1Å; L183-S190 VanDerWaalsContact O-N 3.1Å; G188-S190 PolarHBondContact O-N 3.29Å; S190-F192 VanDerWaalsContact C-N 3.25Å; S190-F192 PolarHBondContact OG-N 3.1Å; S190-F192 VanDerWaalsContact OG-N 3.07Å
191E96Very high94.6Very high101 Ų10154.1 Ų54.147%0.47227%0.27SS..SBendtrans-68.5-28.6167-72.2159.8-138.500111.7T106 K107T106-E191 VanDerWaalsContact CB-OE1 3.29Å; T106-E191 WeakPolarHBondContact CB-OE1 3.41Å; T106-E191 PolarHBondContact O-N 2.96Å; T106-E191 PolarHBondContact OG1-OE1 2.66Å; K107-E191 IonicContact NZ-OE1 3.25Å; K107-E191 PolarHBondContact NZ-OE1 2.75Å; K107-E191 IonicContact NZ-OE2 2.66Å; K107-E191 PolarHBondContact NZ-OE2 3.15Å
192F96.1Very high94.4Very high79 Ų7956.8 Ų56.835%0.34628%0.281SS..PPolyproline II helixtrans-98.8121.9-169.5-57.4-78.5000112.3L26 K107 K109 R182 S190L26-F192 HydrophobicContact CD1-CD2 3.53Å; L26-F192 HydrophobicContact CD1-CE2 3.5Å; L26-F192 VanDerWaalsContact CD1-CE2 3.5Å; L26-F192 HydrophobicContact CD1-CG 4.22Å; L26-F192 HydrophobicContact CD1-CZ 4.17Å; K107-F192 HydrophobicContact CB-CE2 4.48Å; K107-F192 HydrophobicContact CD-CE2 3.87Å; K109-F192 HydrophobicContact CB-CB 4.16Å; K109-F192 HydrophobicContact CG-CB 4.35Å; R182-F192 WeakPolarHBondContact CG-O 3.17Å; S190-F192 VanDerWaalsContact C-N 3.25Å; S190-F192 PolarHBondContact OG-N 3.1Å; S190-F192 VanDerWaalsContact OG-N 3.07Å
193W96.9Very high94Very high41 Ų4157.1 Ų57.116%0.15529%0.292CS..PPolyproline II helixtrans-71.5150.8160.3-7282.8000110.5E140 R142 K180 R182E140-W193 HydrophobicContact CG-CH2 3.82Å; E140-W193 HydrophobicContact CG-CZ3 4.45Å; E140-W193 WeakPolarHBondContact OE1-CH2 3.41Å; E140-W193 WeakPolarHBondContact OE1-CZ2 3.27Å; E140-W193 WeakPolarHBondContact OE2-CH2 3.36Å; R142-W193 HydrophobicContact CB-CH2 4.39Å; R142-W193 HydrophobicContact CB-CZ3 4.14Å; R142-W193 HydrophobicContact CG-CH2 3.58Å; R142-W193 HydrophobicContact CG-CZ2 4.26Å; R142-W193 HydrophobicContact CG-CZ3 3.83Å; R142-W193 VanDerWaalsContact CZ-CZ2 3.41Å; R142-W193 VanDerWaalsContact NE-CH2 3.32Å; K180-W193 HydrophobicContact CB-CE3 4.49Å; K180-W193 HydrophobicContact CD-CB 4.03Å; K180-W193 HydrophobicContact CD-CD2 4.24Å; K180-W193 HydrophobicContact CD-CE3 3.96Å; K180-W193 HydrophobicContact CD-CG 4.27Å; K180-W193 HydrophobicContact CG-CD2 4.48Å; K180-W193 HydrophobicContact CG-CE3 3.71Å; K180-W193 HydrophobicContact CG-CZ3 4.33Å; R182-W193 HydrophobicContact CB-CD2 3.9Å; R182-W193 HydrophobicContact CB-CE3 3.73Å; R182-W193 HydrophobicContact CB-CH2 3.96Å; R182-W193 HydrophobicContact CB-CZ2 4.1Å; R182-W193 HydrophobicContact CB-CZ3 3.78Å; R182-W193 HydrophobicContact CG-CD2 4.49Å; R182-W193 VanDerWaalsContact NE-CZ2 3.34Å
194S97.1Very high93Very high5 Ų563.7 Ų63.74%0.03532%0.321CS..PPolyproline II helixtrans-57.6162.3160.678.30000110.4L110 K180 S181L110-S194 WeakPolarHBondContact O-CA 3.43Å; L110-S194 WeakPolarHBondContact O-CB 3.21Å; K180-S194 WeakPolarHBondContact CA-OG 3.21Å; K180-S194 WeakPolarHBondContact CB-OG 3.39Å; S181-S194 PolarHBondContact N-OG 2.67Å; S181-S194 PolarHBondContact O-N 2.97Å
195D97.4Very high91.4Very high93 Ų9366.8 Ų66.850%0.49734%0.337SS..PPolyproline II helixtrans-62.6165.4161.3-56.3-51.5000109.7K109 P112K109-D195 WeakPolarHBondContact CE-OD2 3.28Å; K109-D195 IonicContact NZ-OD1 2.69Å; K109-D195 PolarHBondContact NZ-OD1 2.74Å; K109-D195 IonicContact NZ-OD2 3.43Å; K109-D195 PolarHBondContact NZ-OD2 2.66Å; P112-D195 WeakPolarHBondContact CB-O 3.39Å
196W97.5Very high89.4Confident69 Ų6964.8 Ų64.826%0.26133%0.331SS..PPolyproline II helixtrans-71.3140.1173.5-67.3101.4000109.9R144 T154 Q178 K180R144-W196 HydrophobicContact CB-CH2 3.68Å; R144-W196 HydrophobicContact CB-CZ2 4.3Å; R144-W196 HydrophobicContact CB-CZ3 3.85Å; R144-W196 HydrophobicContact CG-CD2 4.2Å; R144-W196 HydrophobicContact CG-CE3 3.79Å; R144-W196 HydrophobicContact CG-CH2 3.71Å; R144-W196 HydrophobicContact CG-CZ2 4.13Å; R144-W196 HydrophobicContact CG-CZ3 3.53Å; T154-W196 HydrophobicContact CG2-CH2 4.34Å; Q178-W196 HydrophobicContact CB-CB 4.4Å; Q178-W196 HydrophobicContact CB-CE3 4.02Å; K180-W196 HydrophobicContact CB-CD2 4.17Å; K180-W196 HydrophobicContact CB-CE3 3.81Å; K180-W196 HydrophobicContact CB-CZ3 4.15Å; K180-W196 HydrophobicContact CD-CD2 3.91Å; K180-W196 HydrophobicContact CD-CE3 4.05Å; K180-W196 HydrophobicContact CD-CH2 3.86Å; K180-W196 HydrophobicContact CD-CZ2 3.69Å; K180-W196 HydrophobicContact CD-CZ3 4.02Å; K180-W196 HydrophobicContact CG-CD2 4.12Å; K180-W196 HydrophobicContact CG-CE3 3.74Å; K180-W196 HydrophobicContact CG-CH2 3.85Å; K180-W196 HydrophobicContact CG-CZ2 4.2Å; K180-W196 HydrophobicContact CG-CZ3 3.6Å
197S97.2Very high87.3Confident3 Ų365.3 Ų65.32%0.02134%0.339CS..PPolyproline II helixtrans-58.5166.317169.80000112.2P113 L116 Q178 V179P113-S197 VanDerWaalsContact O-CB 3.25Å; P113-S197 WeakPolarHBondContact O-CB 3.4Å; L116-S197 WeakPolarHBondContact CD2-OG 3.32Å; Q178-S197 WeakPolarHBondContact CG-O 3.46Å; Q178-S197 PolarHBondContact NE2-O 2.78Å; V179-S197 PolarHBondContact N-OG 2.77Å; V179-S197 WeakPolarHBondContact O-CB 3.42Å; V179-S197 PolarHBondContact O-N 2.74Å; V179-S197 PolarHBondContact O-OG 2.83Å
198E95.6Very high84.9Confident181 Ų18170 Ų7085%0.84637%0.367SS*.PPolyproline II helixtrans-53.9149.5158.8-61.5-171.1144.800110.1L116L116-E198 WeakPolarHBondContact CD2-O 3.46Å
199S94.1Very high82.7Confident55 Ų5574.9 Ų74.939%0.38539%0.394SS..PPolyproline II helixtrans-87.8133-175.758.90000111.8L177L177-S199 WeakPolarHBondContact O-CA 3.11Å
200V94.8Very high80.2Confident20 Ų2075.1 Ų75.112%0.12141%0.407CS..EExtended strand (participates in β ladder)trans-94.9132167.5630000109.5L116 V118 F128 E176 L177L116-V200 HydrophobicContact CB-CB 4.05Å; L116-V200 HydrophobicContact CB-CG1 4.05Å; L116-V200 HydrophobicContact CD2-CG1 4.05Å; V118-V200 HydrophobicContact CB-CG2 3.89Å; V118-V200 HydrophobicContact CG1-CG2 3.66Å; F128-V200 HydrophobicContact CD1-CG1 3.63Å; F128-V200 HydrophobicContact CE1-CG1 3.93Å; E176-V200 WeakPolarHBondContact CA-O 3.46Å; L177-V200 HydrophobicContact CB-CG1 4.15Å; L177-V200 HydrophobicContact CD2-CG1 4.25Å; L177-V200 PolarHBondContact N-O 3.18Å; L177-V200 PolarHBondContact O-N 2.88Å
201V93.1Very high77.8Confident54 Ų5481.9 Ų81.933%0.32744%0.443SS..EExtended strand (participates in β ladder)trans-114.2139.1-176.9178.20000109.7R174 Y175 E176R174-V201 HydrophobicContact CG-CG1 3.82Å; Y175-V201 CarbonylContact O-C 3.42Å; Y175-V201 WeakPolarHBondContact O-CA 2.97Å; E176-V201 HydrophobicContact CB-CG2 4.26Å; E176-V201 HydrophobicContact CG-CG2 3.81Å
202W92.1Very high75.3Confident58 Ų5881.2 Ų81.222%0.2245%0.454CS..EExtended strand (participates in β ladder)trans-137.6151.3172.1-178.491000110.6V118 N120 L126 P169 R174 Y175V118-W202 HydrophobicContact CG1-CB 4.11Å; V118-W202 HydrophobicContact CG2-CB 3.97Å; V118-W202 HydrophobicContact CG2-CG 4.13Å; N120-W202 HydrophobicContact CB-CZ2 4.47Å; L126-W202 HydrophobicContact CD1-CB 4.43Å; L126-W202 HydrophobicContact CD1-CD2 3.55Å; L126-W202 HydrophobicContact CD1-CE3 4.2Å; L126-W202 HydrophobicContact CD1-CG 3.66Å; L126-W202 HydrophobicContact CD1-CZ2 4.11Å; L126-W202 HydrophobicContact CD2-CB 4.11Å; L126-W202 HydrophobicContact CD2-CD2 3.68Å; L126-W202 HydrophobicContact CD2-CE3 3.57Å; L126-W202 HydrophobicContact CD2-CG 3.95Å; L126-W202 HydrophobicContact CD2-CZ3 4.22Å; L126-W202 HydrophobicContact CG-CD2 4.28Å; L126-W202 HydrophobicContact CG-CG 4.44Å; P169-W202 HydrophobicContact CB-CH2 3.85Å; P169-W202 HydrophobicContact CB-CZ3 3.74Å; P169-W202 HydrophobicContact CG-CH2 4Å; P169-W202 HydrophobicContact CG-CZ3 4.39Å; R174-W202 CarbonylContact C-O 3.58Å; R174-W202 WeakPolarHBondContact CA-O 2.96Å; Y175-W202 AromaticContact CD2-CE3 3.78Å; Y175-W202 HydrophobicContact CD2-CE3 3.78Å; Y175-W202 AromaticContact CD2-CZ3 3.92Å; Y175-W202 HydrophobicContact CD2-CZ3 3.92Å; Y175-W202 HydrophobicContact CE2-CE3 4.45Å; Y175-W202 HydrophobicContact CE2-CZ3 4.13Å; Y175-W202 PolarHBondContact N-O 3.1Å; Y175-W202 PolarHBondContact O-N 3.35Å
203G86.4Confident72.9Confident33 Ų3384 Ų8434%0.3447%0.466SS..SBendtrans97.4179-17900000113.8
204F73.8Confident70.7Confident139 Ų13990.1 Ų90.161%0.6150%0.502SS*.  trans-82.8137.5-164.7-164.7-95.9000113.5N206F204-N206 WeakPolarHBondContact CD1-OD1 3.35Å; F204-N206 PolarHBondContact O-N 3.01Å
205N58.9Low68.2Low85 Ų8595.8 Ų95.846%0.45553%0.528SS..  trans-82.694.2174.2-80.1-22.7000110.7R174 T207R174-N205 PolarHBondContact NH1-OD1 2.86Å; N205-T207 HydrophobicContact CB-CG2 4.25Å; N205-T207 PolarHBondContact O-N 3.47Å
206N49.7Very low66.5Low99 Ų9995.7 Ų95.753%0.52954%0.54SS..  trans-74.357.5164.7-79.4-15.5000111.5F204 T208 V209F204-N206 WeakPolarHBondContact CD1-OD1 3.35Å; F204-N206 PolarHBondContact O-N 3.01Å; N206-T208 PolarHBondContact O-N 2.97Å; N206-V209 PolarHBondContact O-N 2.98Å
207T45.7Very low64.7Low125 Ų12599.2 Ų99.277%0.76756%0.561SS**THydrogen-bonded Turntrans-70.411.3176.141.50000114N205N205-T207 HydrophobicContact CB-CG2 4.25Å; N205-T207 PolarHBondContact O-N 3.47Å
208T41.1Very low63.2Low129 Ų129102.4 Ų102.479%0.79158%0.582SS**THydrogen-bonded Turntrans-106.8-5.4175.646.10000114.2N206 S210N206-T208 PolarHBondContact O-N 2.97Å; T208-S210 PolarHBondContact O-N 3.3Å
209V44.4Very low61.8Low109 Ų10999 Ų9966%0.66157%0.573SS**SBendtrans-97.382.6160.1-173.10000107.4N206 N211N206-V209 PolarHBondContact O-N 2.98Å; V209-N211 PolarHBondContact O-N 3.5Å
210S40Very low60.7Low99 Ų99105.7 Ų105.769%0.69259%0.59SS**  trans-43.1136.8162.352.40000109.6T208 A212T208-S210 PolarHBondContact O-N 3.3Å; S210-A212 VanDerWaalsContact C-N 3.27Å; S210-A212 PolarHBondContact O-N 3.47Å
211N45.8Very low59.8Low143 Ų143106.8 Ų106.877%0.76560%0.597SS**  trans-41.679.9179.5-69.2-84.4000114.8V209 K213V209-N211 PolarHBondContact O-N 3.5Å; N211-K213 HydrophobicContact CB-CB 4.4Å; N211-K213 PolarHBondContact O-N 3.26Å
212A44.3Very low59Low86 Ų86107 Ų10771%0.71160%0.604SS**  trans-76.852.7151.700000107.5S210 N214S210-A212 VanDerWaalsContact C-N 3.27Å; S210-A212 PolarHBondContact O-N 3.47Å; A212-N214 PolarHBondContact O-N 3.47Å
213K45.6Very low58.5Low137 Ų137108.4 Ų108.460%0.59662%0.615SS**  trans-56.7127.4166.3-167.6177.8172.7-151.60104.4N211 E215N211-K213 HydrophobicContact CB-CB 4.4Å; N211-K213 PolarHBondContact O-N 3.26Å; K213-E215 HydrophobicContact CB-CG 4.07Å; K213-E215 HydrophobicContact CD-CG 3.97Å; K213-E215 WeakPolarHBondContact CD-OE1 3.4Å; K213-E215 HydrophobicContact CG-CG 4.01Å; K213-E215 IonicContact NZ-OE1 3.38Å; K213-E215 PolarHBondContact NZ-OE1 2.94Å; K213-E215 PolarHBondContact O-N 3.34Å
214N49.6Very low58.6Low170 Ų170112.6 Ų112.691%0.90963%0.63SS**  trans-68.969.3167.2-72-48.5000107.8A212 A216A212-N214 PolarHBondContact O-N 3.47Å; N214-A216 PolarHBondContact O-N 3.43Å; N214-A216 VanDerWaalsContact O-N 3.12Å
215E45.8Very low59.2Low124 Ų124114.3 Ų114.358%0.57963%0.633SS**  trans-63.2111.2161-56.4-137.7139.400104.7K213 M217K213-E215 HydrophobicContact CB-CG 4.07Å; K213-E215 HydrophobicContact CD-CG 3.97Å; K213-E215 WeakPolarHBondContact CD-OE1 3.4Å; K213-E215 HydrophobicContact CG-CG 4.01Å; K213-E215 IonicContact NZ-OE1 3.38Å; K213-E215 PolarHBondContact NZ-OE1 2.94Å; K213-E215 PolarHBondContact O-N 3.34Å; E215-M217 PolarHBondContact O-N 2.98Å
216A60.6Low60.6Low92 Ų92114.3 Ų114.376%0.7664%0.636SS**  trans-50.2117.3167.200000106.6N214N214-A216 PolarHBondContact O-N 3.43Å; N214-A216 VanDerWaalsContact O-N 3.12Å
217M59.4Low62.6Low142 Ų142113.5 Ų113.570%0.763%0.634SS**  trans-38.2116.1-173.9-85.3-91.5-168.200109.3E215 V219 T221E215-M217 PolarHBondContact O-N 2.98Å; M217-V219 PolarHBondContact O-N 2.89Å; M217-V219 VanDerWaalsContact O-N 3.15Å; M217-T221 HydrophobicContact SD-CG2 3.99Å
218P66.2Low64.8Low71 Ų71110.8 Ų110.846%0.46162%0.62SS.*  trans-56.6129.9-177.819.1-28.9000107.6W220 T221P218-W220 PolarHBondContact O-N 2.87Å; P218-T221 WeakPolarHBondContact O-CB 3.39Å; P218-T221 PolarHBondContact O-N 3.07Å; P218-T221 PolarHBondContact O-OG1 2.77Å
219V66Low67.3Low108 Ų108107.5 Ų107.566%0.65561%0.606SS**Hα-helixtrans-52.1-29.2-167.8178.60000112.4M217 T221 A222 L223M217-V219 PolarHBondContact O-N 2.89Å; M217-V219 VanDerWaalsContact O-N 3.15Å; V219-T221 VanDerWaalsContact C-N 3.35Å; V219-T221 PolarHBondContact O-N 2.96Å; V219-A222 PolarHBondContact O-N 2.05Å; V219-L223 HydrophobicContact CG1-CD1 4.32Å; V219-L223 PolarHBondContact O-N 2.71Å; V219-L223 VanDerWaalsContact O-N 3.14Å
220W70.6Confident69.6Low196 Ų196106.9 Ų106.974%0.74260%0.598SS**Hα-helixtrans-54.2-38.2170.9-59.3104.3000115P218 L223 L224P218-W220 PolarHBondContact O-N 2.87Å; W220-L223 HydrophobicContact CE3-CD1 4.2Å; W220-L223 WeakPolarHBondContact O-CB 3.26Å; W220-L223 PolarHBondContact O-N 2.01Å; W220-L224 WeakPolarHBondContact O-CG 3.33Å; W220-L224 PolarHBondContact O-N 3.02Å
221T76.8Confident72.1Confident44 Ų44105.8 Ų105.827%0.2759%0.588SS.*Hα-helixtrans-64.8-43.3177.7-55.10000111.1M217 P218 V219 L224 Y225M217-T221 HydrophobicContact SD-CG2 3.99Å; P218-T221 WeakPolarHBondContact O-CB 3.39Å; P218-T221 PolarHBondContact O-N 3.07Å; P218-T221 PolarHBondContact O-OG1 2.77Å; V219-T221 VanDerWaalsContact C-N 3.35Å; V219-T221 PolarHBondContact O-N 2.96Å; T221-L224 PolarHBondContact O-N 2.67Å; T221-Y225 HydrophobicContact CG2-CD2 4.08Å; T221-Y225 HydrophobicContact CG2-CE2 3.94Å; T221-Y225 VanDerWaalsContact O-CD2 3.3Å; T221-Y225 WeakPolarHBondContact O-CD2 3.42Å; T221-Y225 PolarHBondContact O-N 2.91Å; T221-Y225 VanDerWaalsContact O-N 3.08Å
222A76.6Confident74.3Confident57 Ų57104.4 Ų104.447%0.47158%0.58SS.*Hα-helixtrans-64.4-41175.800000111.6V219 L224 Y225 V226V219-A222 PolarHBondContact O-N 2.05Å; A222-L224 PolarHBondContact O-N 2.89Å; A222-Y225 PolarHBondContact O-N 2.93Å; A222-V226 WeakPolarHBondContact O-CG2 3.45Å; A222-V226 PolarHBondContact O-N 2.73Å
223L81.4Confident76.6Confident88 Ų88105.8 Ų105.846%0.46158%0.575SS.*Hα-helixtrans-58.5-44.7172.8-82.8159.4000112.2V219 W220 Y225 V226 V227V219-L223 HydrophobicContact CG1-CD1 4.32Å; V219-L223 PolarHBondContact O-N 2.71Å; V219-L223 VanDerWaalsContact O-N 3.14Å; W220-L223 HydrophobicContact CE3-CD1 4.2Å; W220-L223 WeakPolarHBondContact O-CB 3.26Å; W220-L223 PolarHBondContact O-N 2.01Å; L223-Y225 PolarHBondContact O-N 3.41Å; L223-V226 PolarHBondContact O-N 2.93Å; L223-V227 WeakPolarHBondContact O-CG2 3.42Å; L223-V227 PolarHBondContact O-N 2.85Å
224L87.2Confident78.7Confident122 Ų122104.1 Ų104.164%0.63957%0.572SS**Hα-helixtrans-63.2-40.1177.6-72170.9000112.4W220 T221 A222 V227 S228W220-L224 WeakPolarHBondContact O-CG 3.33Å; W220-L224 PolarHBondContact O-N 3.02Å; T221-L224 PolarHBondContact O-N 2.67Å; A222-L224 PolarHBondContact O-N 2.89Å; L224-V227 PolarHBondContact O-N 3.1Å; L224-S228 VanDerWaalsContact O-CB 3.27Å; L224-S228 WeakPolarHBondContact O-CB 3.29Å; L224-S228 PolarHBondContact O-N 2.88Å
225Y87.8Confident80.6Confident175 Ų175101.1 Ų101.169%0.68656%0.555SS**Hα-helixtrans-63.3-42.4173.7-86.7-73000112.6T221 A222 L223 S228 A229T221-Y225 HydrophobicContact CG2-CD2 4.08Å; T221-Y225 HydrophobicContact CG2-CE2 3.94Å; T221-Y225 VanDerWaalsContact O-CD2 3.3Å; T221-Y225 WeakPolarHBondContact O-CD2 3.42Å; T221-Y225 PolarHBondContact O-N 2.91Å; T221-Y225 VanDerWaalsContact O-N 3.08Å; A222-Y225 PolarHBondContact O-N 2.93Å; L223-Y225 PolarHBondContact O-N 3.41Å; Y225-S228 PolarHBondContact O-N 3.29Å; Y225-A229 WeakPolarHBondContact O-CB 3.44Å; Y225-A229 PolarHBondContact O-N 3.12Å
226V88.7Confident82.8Confident85 Ų8598.6 Ų98.652%0.51555%0.548SS..Hα-helixtrans-64.9-45177172.60000111.1A222 L223 A229 I230A222-V226 WeakPolarHBondContact O-CG2 3.45Å; A222-V226 PolarHBondContact O-N 2.73Å; L223-V226 PolarHBondContact O-N 2.93Å; V226-A229 PolarHBondContact O-N 2.96Å; V226-I230 HydrophobicContact CG1-CD1 3.82Å; V226-I230 VanDerWaalsContact O-CG1 3.32Å; V226-I230 WeakPolarHBondContact O-CG1 3.37Å; V226-I230 PolarHBondContact O-N 3.15Å
227V91.9Very high84Confident81 Ų8198 Ų9849%0.49154%0.535SS..Hα-helixtrans-61.4-45175.41720000110.8L223 L224 A229 I230 T231L223-V227 WeakPolarHBondContact O-CG2 3.42Å; L223-V227 PolarHBondContact O-N 2.85Å; L224-V227 PolarHBondContact O-N 3.1Å; V227-A229 VanDerWaalsContact C-N 3.33Å; V227-A229 PolarHBondContact O-N 3.33Å; V227-I230 PolarHBondContact O-N 3.04Å; V227-T231 HydrophobicContact CG1-CG2 4.42Å; V227-T231 WeakPolarHBondContact O-CG2 3.11Å; V227-T231 PolarHBondContact O-N 3.38Å; V227-T231 PolarHBondContact O-OG1 2.66Å; V227-T231 VanDerWaalsContact O-OG1 3.07Å
228S90.5Very high85.2Confident68 Ų6896 Ų9648%0.47653%0.526SS..Hα-helixtrans-58.9-43176.4-172.50000112.1L224 Y225 T231 L232L224-S228 VanDerWaalsContact O-CB 3.27Å; L224-S228 WeakPolarHBondContact O-CB 3.29Å; L224-S228 PolarHBondContact O-N 2.88Å; Y225-S228 PolarHBondContact O-N 3.29Å; S228-T231 WeakPolarHBondContact CA-OG1 3.37Å; S228-T231 PolarHBondContact O-N 3.14Å; S228-T231 PolarHBondContact O-OG1 2.78Å; S228-L232 WeakPolarHBondContact O-CB 3.3Å; S228-L232 PolarHBondContact O-N 2.76Å
229A93.1Very high85.9Confident60 Ų6097.3 Ų97.350%0.49653%0.528SS..Hα-helixtrans-64.6-45.4177.400000111.8Y225 V226 V227 L232 L233Y225-A229 WeakPolarHBondContact O-CB 3.44Å; Y225-A229 PolarHBondContact O-N 3.12Å; V226-A229 PolarHBondContact O-N 2.96Å; V227-A229 VanDerWaalsContact C-N 3.33Å; V227-A229 PolarHBondContact O-N 3.33Å; A229-L232 PolarHBondContact O-N 2.62Å; A229-L233 WeakPolarHBondContact O-CB 3.37Å; A229-L233 PolarHBondContact O-N 3.43Å
230I92.9Very high86.5Confident96 Ų9696.8 Ų96.849%0.49252%0.521SS..Hα-helixtrans-62-45.3177-67.3165.6000110.8V226 V227 L232 L233 L234V226-I230 HydrophobicContact CG1-CD1 3.82Å; V226-I230 VanDerWaalsContact O-CG1 3.32Å; V226-I230 WeakPolarHBondContact O-CG1 3.37Å; V226-I230 PolarHBondContact O-N 3.15Å; V227-I230 PolarHBondContact O-N 3.04Å; I230-L232 VanDerWaalsContact C-N 3.35Å; I230-L232 PolarHBondContact O-N 3.12Å; I230-L233 PolarHBondContact O-N 2.91Å; I230-L234 HydrophobicContact CG2-CD1 4.05Å; I230-L234 HydrophobicContact CG2-CG 4.44Å; I230-L234 WeakPolarHBondContact O-CG 3.38Å; I230-L234 PolarHBondContact O-N 3.36Å
231T92.8Very high86.5Confident77 Ų7793 Ų9347%0.47251%0.512SS..Hα-helixtrans-62.7-40.1178.8500000112.4V227 S228 L234 L235V227-T231 HydrophobicContact CG1-CG2 4.42Å; V227-T231 WeakPolarHBondContact O-CG2 3.11Å; V227-T231 PolarHBondContact O-N 3.38Å; V227-T231 PolarHBondContact O-OG1 2.66Å; V227-T231 VanDerWaalsContact O-OG1 3.07Å; S228-T231 WeakPolarHBondContact CA-OG1 3.37Å; S228-T231 PolarHBondContact O-N 3.14Å; S228-T231 PolarHBondContact O-OG1 2.78Å; T231-L234 PolarHBondContact O-N 2.74Å; T231-L235 WeakPolarHBondContact O-CB 3.43Å; T231-L235 PolarHBondContact O-N 3.23Å
232L93.4Very high86.1Confident114 Ų11494.9 Ų94.960%0.59752%0.52SS*.Hα-helixtrans-67-40.4177-171.9146.8000111.3S228 A229 I230 L235 V236S228-L232 WeakPolarHBondContact O-CB 3.3Å; S228-L232 PolarHBondContact O-N 2.76Å; A229-L232 PolarHBondContact O-N 2.62Å; I230-L232 VanDerWaalsContact C-N 3.35Å; I230-L232 PolarHBondContact O-N 3.12Å; L232-L235 WeakPolarHBondContact O-CB 3.33Å; L232-L235 PolarHBondContact O-N 2.9Å; L232-V236 HydrophobicContact CD2-CG2 4.3Å; L232-V236 WeakPolarHBondContact O-CG2 3.29Å; L232-V236 PolarHBondContact O-N 3.15Å
233L92.8Very high85.5Confident115 Ų11598.1 Ų98.160%0.60253%0.525SS*.Hα-helixtrans-65.2-42.1177.8-152.8160.8000111.4A229 I230 L235 V236 V237A229-L233 WeakPolarHBondContact O-CB 3.37Å; A229-L233 PolarHBondContact O-N 3.43Å; I230-L233 PolarHBondContact O-N 2.91Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 2.83Å; L233-V236 PolarHBondContact O-N 3.33Å; L233-V237 HydrophobicContact CD2-CG2 4.18Å; L233-V237 WeakPolarHBondContact O-CG2 3.39Å; L233-V237 PolarHBondContact O-N 3.26Å
234L89.7Confident84.5Confident102 Ų102102.8 Ų102.853%0.53454%0.537SS..Hα-helixtrans-60.2-41.9171.8-72.6170.8000112.2I230 T231 V237 I238I230-L234 HydrophobicContact CG2-CD1 4.05Å; I230-L234 HydrophobicContact CG2-CG 4.44Å; I230-L234 WeakPolarHBondContact O-CG 3.38Å; I230-L234 PolarHBondContact O-N 3.36Å; T231-L234 PolarHBondContact O-N 2.74Å; L234-V237 PolarHBondContact O-N 3.01Å; L234-I238 WeakPolarHBondContact O-CG1 3.42Å; L234-I238 PolarHBondContact O-N 3.25Å
235L89.4Confident83.1Confident107 Ų107100.5 Ų100.556%0.5653%0.525SS*.Hα-helixtrans-63.6-42.3178.9-145.4163.7000111.1T231 L232 L233 I238 L239T231-L235 WeakPolarHBondContact O-CB 3.43Å; T231-L235 PolarHBondContact O-N 3.23Å; L232-L235 WeakPolarHBondContact O-CB 3.33Å; L232-L235 PolarHBondContact O-N 2.9Å; L233-L235 VanDerWaalsContact C-N 3.34Å; L233-L235 PolarHBondContact O-N 2.83Å; L235-I238 PolarHBondContact O-N 3.43Å; L235-L239 HydrophobicContact CD2-CD1 3.73Å; L235-L239 HydrophobicContact CD2-CG 4.08Å; L235-L239 WeakPolarHBondContact O-CG 3.21Å; L235-L239 PolarHBondContact O-N 2.74Å
236V90.3Very high81.6Confident70 Ų70100 Ų10042%0.42453%0.526SS..Hα-helixtrans-61.2-44.1172.7171.80000111.7L232 L233 I238 L239 L240L232-V236 HydrophobicContact CD2-CG2 4.3Å; L232-V236 WeakPolarHBondContact O-CG2 3.29Å; L232-V236 PolarHBondContact O-N 3.15Å; L233-V236 PolarHBondContact O-N 3.33Å; V236-I238 PolarHBondContact O-N 2.69Å; V236-L239 PolarHBondContact O-N 3.22Å; V236-L240 HydrophobicContact CG1-CD1 3.92Å; V236-L240 HydrophobicContact CG1-CG 4.4Å; V236-L240 WeakPolarHBondContact O-CG 3.28Å; V236-L240 PolarHBondContact O-N 3.29Å
237V87.4Confident80.1Confident80 Ų80102 Ų10249%0.48553%0.533SS..Hα-helixtrans-61.9-41.9177.1170.50000111.6L233 L234 L240 H241L233-V237 HydrophobicContact CD2-CG2 4.18Å; L233-V237 WeakPolarHBondContact O-CG2 3.39Å; L233-V237 PolarHBondContact O-N 3.26Å; L234-V237 PolarHBondContact O-N 3.01Å; V237-L240 PolarHBondContact O-N 2.95Å; V237-H241 WeakPolarHBondContact O-CB 3.33Å; V237-H241 PolarHBondContact O-N 2.86Å
238I83.6Confident78.5Confident100 Ų100104.7 Ų104.751%0.51354%0.543SS..Hα-helixtrans-64.3-43176.7-68.7164.3000111.1L234 L235 V236 H241 N242L234-I238 WeakPolarHBondContact O-CG1 3.42Å; L234-I238 PolarHBondContact O-N 3.25Å; L235-I238 PolarHBondContact O-N 3.43Å; V236-I238 PolarHBondContact O-N 2.69Å; I238-H241 PolarHBondContact O-N 2.8Å; I238-N242 WeakPolarHBondContact O-CB 3.02Å; I238-N242 VanDerWaalsContact O-CG 3.25Å; I238-N242 PolarHBondContact O-N 3.08Å; I238-N242 PolarHBondContact O-ND2 3.09Å
239L80.8Confident76.7Confident98 Ų98108.1 Ų108.151%0.51356%0.555SS.*Hα-helixtrans-61.8-47.5176.4-72170.1000111.7L235 V236 H241 N242 E243L235-L239 HydrophobicContact CD2-CD1 3.73Å; L235-L239 HydrophobicContact CD2-CG 4.08Å; L235-L239 WeakPolarHBondContact O-CG 3.21Å; L235-L239 PolarHBondContact O-N 2.74Å; V236-L239 PolarHBondContact O-N 3.22Å; L239-H241 VanDerWaalsContact C-N 3.29Å; L239-H241 PolarHBondContact O-N 2.89Å; L239-N242 PolarHBondContact O-N 2.99Å; L239-E243 PolarHBondContact O-N 3.02Å
240L78.6Confident74.8Confident97 Ų97111.3 Ų111.351%0.50856%0.562SS.*Hα-helixtrans-62-35.9175.9-70.3171.7000112.3V236 V237 R244V236-L240 HydrophobicContact CG1-CD1 3.92Å; V236-L240 HydrophobicContact CG1-CG 4.4Å; V236-L240 WeakPolarHBondContact O-CG 3.28Å; V236-L240 PolarHBondContact O-N 3.29Å; V237-L240 PolarHBondContact O-N 2.95Å; L240-R244 WeakPolarHBondContact O-CB 3.01Å; L240-R244 WeakPolarHBondContact O-CG 3.35Å; L240-R244 PolarHBondContact O-N 2.88Å
241H72Confident72.7Confident116 Ų116111.6 Ų111.654%0.53757%0.57SS.*Hα-helixtrans-69.1-40.8175.3-162.756.7000111.6V237 I238 L239 E243 R244 I245V237-H241 WeakPolarHBondContact O-CB 3.33Å; V237-H241 PolarHBondContact O-N 2.86Å; I238-H241 PolarHBondContact O-N 2.8Å; L239-H241 VanDerWaalsContact C-N 3.29Å; L239-H241 PolarHBondContact O-N 2.89Å; H241-E243 PolarHBondContact O-N 2.9Å; H241-R244 PolarHBondContact O-N 3.42Å; H241-I245 WeakPolarHBondContact O-CB 3.48Å; H241-I245 VanDerWaalsContact O-CG1 3.26Å; H241-I245 WeakPolarHBondContact O-CG1 3.03Å; H241-I245 PolarHBondContact O-N 2.98Å
242N66.6Low71Confident84 Ų84114 Ų11445%0.44959%0.588SS.*Hα-helixtrans-65.6-36.4175.6-72-25000112.7I238 L239 K246I238-N242 WeakPolarHBondContact O-CB 3.02Å; I238-N242 VanDerWaalsContact O-CG 3.25Å; I238-N242 PolarHBondContact O-N 3.08Å; I238-N242 PolarHBondContact O-ND2 3.09Å; L239-N242 PolarHBondContact O-N 2.99Å; N242-K246 PolarHBondContact O-N 2.8Å
243E64.7Low68.5Low125 Ų125116.1 Ų116.158%0.58460%0.599SS**Hα-helixtrans-65.8-45.9170.2-72.7-167.8157.700111.7L239 H241 I245 K246 I247L239-E243 PolarHBondContact O-N 3.02Å; H241-E243 PolarHBondContact O-N 2.9Å; E243-I245 VanDerWaalsContact C-N 3.3Å; E243-I245 PolarHBondContact O-N 2.89Å; E243-K246 PolarHBondContact O-N 3.17Å; E243-I247 WeakPolarHBondContact O-CD1 3.39Å; E243-I247 VanDerWaalsContact O-CG1 3.29Å; E243-I247 WeakPolarHBondContact O-CG1 3.47Å; E243-I247 PolarHBondContact O-N 3.36Å
244R60.9Low66.2Low187 Ų187116.1 Ų116.171%0.70661%0.605SS**Hα-helixtrans-58.7-39.4175-72.7-87-178.6159.7-0.9112.2L240 H241 I247 I248L240-R244 WeakPolarHBondContact O-CB 3.01Å; L240-R244 WeakPolarHBondContact O-CG 3.35Å; L240-R244 PolarHBondContact O-N 2.88Å; H241-R244 PolarHBondContact O-N 3.42Å; R244-I247 PolarHBondContact O-N 3.08Å; R244-I248 WeakPolarHBondContact O-CG1 3.11Å; R244-I248 PolarHBondContact O-N 2.92Å
245I57.1Low64Low74 Ų74121 Ų12138%0.37962%0.622SS.*Hα-helixtrans-66.9-44.8175.1-70163.7000111H241 E243 I247 I248 L249H241-I245 WeakPolarHBondContact O-CB 3.48Å; H241-I245 VanDerWaalsContact O-CG1 3.26Å; H241-I245 WeakPolarHBondContact O-CG1 3.03Å; H241-I245 PolarHBondContact O-N 2.98Å; E243-I245 VanDerWaalsContact C-N 3.3Å; E243-I245 PolarHBondContact O-N 2.89Å; I245-I247 VanDerWaalsContact C-N 3.26Å; I245-I247 PolarHBondContact O-N 2.83Å; I245-I248 PolarHBondContact O-N 2.9Å; I245-L249 PolarHBondContact O-N 3.28Å
246K57Low61.7Low163 Ų163121.8 Ų121.871%0.70963%0.634SS**Hα-helixtrans-59.7-35176.1-86.9-173.6173.1-178.40113.1N242 E243 I248N242-K246 PolarHBondContact O-N 2.8Å; E243-K246 PolarHBondContact O-N 3.17Å; K246-I248 VanDerWaalsContact C-N 3.34Å
247I56.7Low59.3Low128 Ų128123 Ų12366%0.65665%0.651SS**Hα-helixtrans-73.4-25.1179.8-67.4163000112.2E243 R244 I245E243-I247 WeakPolarHBondContact O-CD1 3.39Å; E243-I247 VanDerWaalsContact O-CG1 3.29Å; E243-I247 WeakPolarHBondContact O-CG1 3.47Å; E243-I247 PolarHBondContact O-N 3.36Å; R244-I247 PolarHBondContact O-N 3.08Å; I245-I247 VanDerWaalsContact C-N 3.26Å; I245-I247 PolarHBondContact O-N 2.83Å
248I57.7Low57.1Low138 Ų138127.2 Ų127.271%0.70867%0.67SS**Hα-helixtrans-84.4-27.9-179.5-68.5167.5000112.6R244 I245 K246R244-I248 WeakPolarHBondContact O-CG1 3.11Å; R244-I248 PolarHBondContact O-N 2.92Å; I245-I248 PolarHBondContact O-N 2.9Å; K246-I248 VanDerWaalsContact C-N 3.34Å
249L53.3Low55.1Low139 Ų139129.6 Ų129.673%0.72868%0.684SS**SBendtrans-85.7-3-175.7-10984.2000115.8I245I245-L249 PolarHBondContact O-N 3.28Å
250I52.3Low53.5Low127 Ų127130.4 Ų130.465%0.65170%0.698SS**SBendtrans-110.3103.9-179.7-55.8175.2000108.8
251P50.7Low51.9Low102 Ų102131.3 Ų131.366%0.66271%0.709SS**PPolyproline II helixtrans-65.6142.5174.527.6-33.5000110.3L253P251-L253 PolarHBondContact O-N 2.58Å
252P55.1Low50.4Low129 Ų129132.7 Ų132.784%0.83872%0.721SS**PPolyproline II helixtrans-67.5116.5-176.826.2-33.7000111.3
253L42.7Very low49.4Very low158 Ų158134.4 Ų134.483%0.82773%0.734SS**PPolyproline II helixtrans-65134.7169.7-76.7160.5000110P251P251-L253 PolarHBondContact O-N 2.58Å
254P43.6Very low48.5Very low114 Ų114136 Ų13674%0.7474%0.742SS**PPolyproline II helixtrans-67.8135.1-177.427.1-34000111.4P256P254-P256 WeakPolarHBondContact O-CD 3.42Å
255K42.9Very low47.9Very low204 Ų204133.8 Ų133.889%0.88774%0.744SS**PPolyproline II helixtrans-69122.4177.8-66.5178.3179177.80110.8
256P41.6Very low47.4Very low125 Ų125140.6 Ų140.681%0.81277%0.765SS**PPolyproline II helixtrans-68.9146.9163-11.127.6000110.1P254P254-P256 WeakPolarHBondContact O-CD 3.42Å
257A40.2Very low46.7Very low95 Ų95140.3 Ų140.379%0.78576%0.764SS**PPolyproline II helixtrans-72145.5-17400000113.3N259A257-N259 PolarHBondContact O-N 2.66Å
258L41.7Very low46Very low168 Ų168142.1 Ų142.188%0.8877%0.769SS**PPolyproline II helixtrans-64.6116.3172.3-177.981000110.5
259N39.8Very low45.2Very low150 Ų150144.1 Ų144.180%0.80277%0.773SS**  trans-143.9111.9159.2-83.3-37.9000107.7A257 P261A257-N259 PolarHBondContact O-N 2.66Å; N259-P261 WeakPolarHBondContact O-CD 3.08Å
260S48.4Very low44.7Very low116 Ų116142.9 Ų142.981%0.81178%0.776SS**  trans-73136.417852.40000111.7
261P44.5Very low44.1Very low115 Ų115147.2 Ų147.275%0.74779%0.79SS**  -128.1148128.634.8-26.2000112.3N259N259-P261 WeakPolarHBondContact O-CD 3.08Å
262D39.9Very low43.9Very low145 Ų145145.6 Ų145.678%0.77579%0.792SS**  trans18.6113.9158.9-109.7-27000119.4E264D262-E264 PolarHBondContact O-N 3.27Å
263V45.6Very low43.3Very low121 Ų121147.6 Ų147.673%0.73379%0.794SS**THydrogen-bonded Turntrans-88.124.6172.3-160.60000111.5
264E46.7Very low43.4Very low159 Ų159147.3 Ų147.374%0.74380%0.799SS**THydrogen-bonded Turntrans-85.8-14.4-179-16160.5-164.300112.7D262D262-E264 PolarHBondContact O-N 3.27Å
265D47.5Very low43.2Very low139 Ų139150.9 Ų150.974%0.74380%0.803SS**SBendtrans-97.5-4-173.2-125.516.5000114.8
266W47.2Very low43.2Very low218 Ų218150 Ų15083%0.82680%0.802SS**SBendtrans-91.7-19.4-177.8-151.9-71.2000114.2
267F43.4Very low42.9Very low157 Ų157155.3 Ų155.369%0.68981%0.806SS**  trans-110.253.1-175.5-75.1-72.9000114.5F269F267-F269 PolarHBondContact O-N 3.25Å
268H40.2Very low43Very low166 Ų166160.9 Ų160.977%0.76981%0.812SS**  trans-69.966.9157-86.1-65.9000111.9
269F42.1Very low42.8Very low180 Ų180159.3 Ų159.379%0.78981%0.805SS**PPolyproline II helixtrans-99131.9160-96.4-82.4000110.7F267 K271F267-F269 PolarHBondContact O-N 3.25Å; F269-K271 PolarHBondContact O-N 2.96Å
270S42.8Very low42.8Very low113 Ų113158.3 Ų158.379%0.7981%0.805SS**PPolyproline II helixtrans-62.2128.1-169.650.90000113.5G272S270-G272 PolarHBondContact O-N 2.67Å
271K38.5Very low42.4Very low218 Ų218159.1 Ų159.195%0.94880%0.8SS**SBendtrans-56118.4166.7-75.4171.4174.7168.20110.7F269F269-K271 PolarHBondContact O-N 2.96Å
272G47.9Very low42.2Very low67 Ų67162.9 Ų162.969%0.69181%0.805SS**  trans139.971.5160.700000116.3S270S270-G272 PolarHBondContact O-N 2.67Å
273L41.3Very low42.4Very low171 Ų171163.1 Ų163.190%0.89581%0.806SS**SBendtrans-178.429.5145.8-102161.5000114.2
274V44.9Very low42.7Very low152 Ų152166.6 Ų166.692%0.92182%0.815SS**  trans-113.449.8176.1-164.80000110.7
275K40.9Very low42.9Very low189 Ų189170.3 Ų170.382%0.82282%0.822SS**SBendtrans-137.8132.9169.6-160.9172.7-177.6-179.10107.2
276E42.3Very low42.8Very low185 Ų185168.6 Ų168.686%0.86483%0.827SS**SBendtrans76.467.1-174.7-51.5-170.5161.400117.8
277R36Very low42.6Very low238 Ų238164 Ų16490%0.89883%0.827SS**  trans-159.23.9136-122.7179.6-168.4-174.94.4120.1
278F41.3Very low42.9Very low211 Ų211163.1 Ų163.193%0.92583%0.834SS**  trans-101.486.1172-71.1-75000111.4
279N37.6Very low43.1Very low135 Ų135161.9 Ų161.972%0.72284%0.838SS**  trans-151.781.2164.3-163.81.1000110
280T40.2Very low43.4Very low130 Ų130164.4 Ų164.480%0.79884%0.842SS**  trans-110.574.9174.550.80000109.9F282T280-F282 PolarHBondContact O-N 3.45Å
281N38.7Very low43.5Very low133 Ų133167.8 Ų167.871%0.71185%0.846SS**  trans-76.396.2163.8-105.4-43000108.9
282F40.3Very low43.5Very low193 Ų193168.4 Ų168.485%0.84684%0.844SS**  trans-135107166.6-98.1-84.7000110.2T280T280-F282 PolarHBondContact O-N 3.45Å
283N45.6Very low43.3Very low151 Ų151173.8 Ų173.881%0.80785%0.851SS**  trans-85111168.1-72.4-25.6000108.5
284E51.4Low43.4Very low194 Ų194171.4 Ų171.491%0.90785%0.846SS**PPolyproline II helixtrans-70.6137.5164.4-72.9-170.2141.600110.2
285R49.9Very low43.1Very low236 Ų236170.8 Ų170.889%0.89184%0.842SS**PPolyproline II helixtrans-98.7126.8171.4-69.4-177.3178.1-179.9-0.5108.7C287R285-C287 PolarHBondContact O-N 2.61Å
286A45.8Very low42.9Very low103 Ų103167 Ų16785%0.85184%0.839SS**PPolyproline II helixtrans-61.6127.4175.400000111.3
287C44.2Very low42.7Very low122 Ų122169.6 Ų169.682%0.82484%0.841SS**PPolyproline II helixtrans-82.8130.8170.3-65.90000110.3R285R285-C287 PolarHBondContact O-N 2.61Å
288T48.6Very low42.7Very low139 Ų139162.8 Ų162.885%0.85383%0.83SS**PPolyproline II helixtrans-78.3122171.934.20000110.7R290T288-R290 PolarHBondContact O-N 2.88Å
289V45.6Very low42.3Very low140 Ų140159.8 Ų159.885%0.84882%0.824SS**PPolyproline II helixtrans-67.7129.1171.1179.90000108.8
290R47.2Very low42.1Very low232 Ų232159.2 Ų159.288%0.87583%0.83SS**PPolyproline II helixtrans-100.4129.9166.8-89-171.2170-168-2.8109.7T288T288-R290 PolarHBondContact O-N 2.88Å
291E46Very low41.9Very low184 Ų184161.3 Ų161.386%0.8684%0.836SS**PPolyproline II helixtrans-73.3147.2166.5-64-178.8152.600110.5
292Y37.9Very low41.6Very low231 Ų231158.8 Ų158.891%0.90684%0.842SS**  trans-85108.2172.5-101.6-96.1000109.8
293Q44.5Very low41.3Very low180 Ų180154.5 Ų154.584%0.84184%0.836SS**  trans-80.7133.9164.6-93.5177.2-93.200110.5
294P42Very low40.7Very low121 Ų121154.2 Ų154.279%0.78684%0.835SS**  trans-70.6137.2173.429.2-33.3000110.8S296P294-S296 PolarHBondContact O-N 3.34Å
295V39.9Very low39.7Very low140 Ų140150.2 Ų150.285%0.84883%0.828SS**  trans-76.9115.1-179.1176.40000110.4
296S35.8Very low38.9Very low108 Ų108144.2 Ų144.276%0.75582%0.822SS**  trans-75.3131.6161.846.30000110.1P294P294-S296 PolarHBondContact O-N 3.34Å
297R39.1Very low38.2Very low240 Ų240150.5 Ų150.591%0.90682%0.824SS**  trans-116.685.4177-171.1175.3-179.7157.71.3111.3
298S34.4Very low37.6Very low95 Ų95151.2 Ų151.266%0.66482%0.819SS**  trans-156.8133.9175.6-69.70000104.9
299D33.6Very low36.9Very low149 Ų149150 Ų15080%0.79781%0.811SS**  cis-151.3175.43.4-66.1-53.8000109
300S34.3Very low36.2Very low122 Ų122149 Ų14985%0.85381%0.805SS**  170.1147.2118.444.70000113.9
301N36.1Very low35.4Very low174 Ų174141.9 Ų141.993%0.9380%0.797SS**  trans-80.8155.6-179.6-68.1-31.6000113.3
302G31.2Very low34.7Very low81 Ų81139 Ų13984%0.83579%0.792SS**  trans-158.7133.4160.700000109.3
303S34.3Very low34.3Very low103 Ų103134.5 Ų134.572%0.7278%0.783SS**  trans-112165.8-156.3650000116.6
304D32.4Very low33.6Very low145 Ų145133.8 Ų133.878%0.77578%0.78SS**  trans82.3114.3148.3-61.3-44.9000123.5
305S31.9Very low33.2Very low109 Ų109134 Ų13476%0.76278%0.779SS**  72.4106.6128.5-159.30000120.5
306S32.5Very low32.5Very low110 Ų110134.8 Ų134.877%0.76978%0.779SS**  173.4148.786.346.60000115.3
307R30.4Very low32.1Very low235 Ų235135.2 Ų135.289%0.88778%0.78SS**  trans-10.6150.1159.2-62.4168.3151.3133.1-5.6117.6
308L31.4Very low31.6Very low137 Ų137129.2 Ų129.272%0.71778%0.775SS**  cis-174150.943.2-167.459.5000113.6
309T34.9Very low31.6Very low114 Ų114132.6 Ų132.670%0.69978%0.784SS**  trans61.3143.5154.7480000120.4
310T30.5Very low31.6Very low118 Ų118131.1 Ų131.172%0.72478%0.783SS**  cis-167.2142-3.7-88.20000111.7
311A29.2Very low31.5Very low84 Ų84133.4 Ų133.469%0.69478%0.784SS**  trans54.2148156.600000119.4
312T33Very low31.2Very low123 Ų123129.4 Ų129.476%0.75578%0.775SS**  cis-156.5164.23.70.70000106.6
313D29.4Very low31.2Very low136 Ų136134.2 Ų134.273%0.72778%0.775SS**  cis-152.7-179.79.1-141.6-24.8000113.3
314Q30Very low31Very low166 Ų166137.4 Ų137.478%0.77679%0.785SS**  trans-67.5166.8164.3-83.3171-24.900113.9
315T32.2Very low31.1Very low126 Ų126139.3 Ų139.377%0.77379%0.789SS**  cis-148.6150.215.513.50000112.4
316D26Very low31.8Very low155 Ų155139.2 Ų139.283%0.82979%0.785SS**  trans-82.6150.7150.9-100.7-45.8000110.4
317C27.5Very low31.8Very low117 Ų117143.2 Ų143.279%0.79179%0.792SS**  171.2124.8128.4-990000114.8
318S29Very low31.9Very low115 Ų115139.7 Ų139.780%0.80479%0.791SS**  23.4127.7129.9-46.10000121.1
319I34.3Very low31.9Very low166 Ų166139.9 Ų139.985%0.85180%0.798SS**  trans-107.4135.3162.5-66.1179.1000109.9
320P33.9Very low31.8Very low118 Ų118139.7 Ų139.777%0.76680%0.801SS**  trans-91.8174-178.937.1-36.6000114.7
321I31.6Very low32Very low170 Ų170138.5 Ų138.587%0.87280%0.803SS**  trans-96.3138.6177.1-65.2160000111.1
322A30.4Very low32.8Very low90 Ų90139.8 Ų139.874%0.74480%0.804SS**  trans-160.8119.2146.900000105.6
323E30.5Very low32.6Very low181 Ų181142.6 Ų142.685%0.84681%0.807SS**  65.611063.9-156.6172.6-119.300112.8
324N29.3Very low32.8Very low171 Ų171147.4 Ų147.491%0.91482%0.816SS**  trans-169.7128.5157.4-94.5-29000108.9
325E34.9Very low32.8Very low184 Ų184144 Ų14486%0.8681%0.807SS**  trans-126.9-171.4169.2-145.4-157.3-170.400108.3
326P47.7Very low32.8Very low107 Ų107144.7 Ų144.770%0.69581%0.811SS**  -104.4170.2-118.138.6-24.2000114.8
327E32.2Very low33.1Very low194 Ų194142.6 Ų142.691%0.90780%0.804SS**  trans-130.6130.4164.4-86.6-168.6144.900113.1
328D32.8Very low33.4Very low161 Ų161144.9 Ų144.986%0.86181%0.806SS**  trans-80154.6163.4-96.7-46.6000111
329T31Very low33.5Very low141 Ų141142.9 Ų142.987%0.86580%0.797SS**  trans-152.2144.4155-66.60000110.2
330S32.6Very low33.5Very low110 Ų110139.5 Ų139.577%0.76979%0.788SS**  trans-132.4154.5-166.953.70000115.5
331A34.5Very low33.5Very low93 Ų93141.7 Ų141.777%0.76979%0.788SS**  trans70169.2160.300000118.6
332P46.6Very low33.6Very low111 Ų111140.5 Ų140.572%0.72178%0.783SS**  cis-130.8169.7-8.917.58.2000117
333F29Very low33.9Very low182 Ų182144.6 Ų144.680%0.79879%0.787SS**  trans29.7131.2150-76.5-86.7000123.2
334Y32.1Very low34.1Very low238 Ų238144.1 Ų144.193%0.93379%0.785SS**  -149.2140.4116.8-109.8-76.1000112
335T31.4Very low34.4Very low95 Ų95143.4 Ų143.458%0.58378%0.776SS**  trans-95.5147.9178-450000110.2V337T335-V337 HydrophobicContact CG2-CG2 4.36Å
336T31.5Very low34.5Very low139 Ų139141 Ų14185%0.85377%0.773SS**  trans-143.3119.2152.5-290000110.8
337V32.4Very low34.1Very low111 Ų111140.6 Ų140.667%0.67377%0.773SS**  trans-93.2139.3170.1171.40000107.5T335 A339T335-V337 HydrophobicContact CG2-CG2 4.36Å; V337-A339 HydrophobicContact CG1-CB 4.35Å
338I34.6Very low34.9Very low166 Ų166141.5 Ų141.585%0.85179%0.792SS**  trans-124.9135.2150.2-62.3-178.1000106.3
339A31.3Very low35Very low73 Ų73140.6 Ų140.660%0.60379%0.788SS**  trans-127.5163.1-179.200000109.5V337V337-A339 HydrophobicContact CG1-CB 4.35Å
340S33.2Very low35.2Very low95 Ų95140.5 Ų140.566%0.66478%0.784SS**  trans59.2161169.777.10000116
341E34.3Very low35.3Very low163 Ų163142.2 Ų142.276%0.76279%0.785SS**  cis-132.4170.1-8.8-95.5102.7174.600106.6
342D32.9Very low35.4Very low145 Ų145145.1 Ų145.178%0.77579%0.786SS**  cis-153.5-172.66.3-144.3-26.5000111.3
343E36.4Very low34.7Very low176 Ų176147.3 Ų147.382%0.82279%0.79SS**  trans-70.3159.7162.8-56.7-179.9110.300113.5
344Q34.7Very low35Very low172 Ų172144.9 Ų144.980%0.80479%0.79SS**  177.9114.4109.5-167.1156.13300113.4
345Q37.2Very low35.2Very low155 Ų155138.3 Ų138.372%0.72478%0.779SS**  trans17.3130.5132.4-161178.423.100119.4
346V36Very low35.5Very low133 Ų133141.6 Ų141.681%0.80679%0.794SS**  -168.4133.3113.4145.30000111.3
347S40Very low35.9Very low99 Ų99141.8 Ų141.869%0.69279%0.79SS**  trans-86141.6172.350.20000112.5
348V47.3Very low36.2Very low214 Ų214144.6 Ų144.6100%1.29780%0.8SS**  trans-137.50137.4-178.60000107.6

Retrieved 348 of 348 residues in 236 ms (Link to these results)